HIT ID: HIT211540685
Cas No: 781661-94-7
分子式: C20H19BrN4O3
分子量: 443.301
常用名: Sepantronium bromide
氢键受体数 (HBA): 5
氢键供体数 (HBD): 0
LogP: -4.988
IUPAC: 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-[(pyrazin-2-yl)methyl]-1H,4H,9H-naphtho[2,3-d]imidazol-3-ium bromide
IUPAC: 1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-[(pyrazin-2-yl)methyl]-1H,4H,9H-naphtho[2,3-d]imidazol-3-ium bromide
SMILES: [Br-].COCCn1c(C)[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O
SMILES: [Br-].COCCn1c(C)[n+](Cc2cnccn2)c2c1C(=O)c1ccccc1C2=O
InChI key: QBIYUDDJPRGKNJ-UHFFFAOYSA-M
