3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1-methyl-2-benzimidazolyl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 2-keto-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C23H24N4O3 MolecularWeight: 404.46166

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4C)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4C)[O-]

InChI

InChI=1S/C23H24N4O3/c1-25-9-11-27(12-10-25)14-17-20(28)8-7-15-13-16(23(29)30-21(15)17)22-24-18-5-3-4-6-19(18)26(22)2/h3-8,13,28H,9-12,14H2,1-2H3