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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 3-(1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxo-chromen-7-olate CAS Name: 3-(1H-benzimidazol-2-yl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 3-(1H-benzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-oxochromen-7-olate Traditional Name: 3-(1H-benzimidazol-2-yl)-2-keto-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C22H22N4O3 MolecularWeight: 390.43508

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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=C5N4)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C(=C3)C4=NC5=CC=CC=C5N4)[O-]

InChI

InChI=1S/C22H22N4O3/c1-25-8-10-26(11-9-25)13-16-19(27)7-6-14-12-15(22(28)29-20(14)16)21-23-17-4-2-3-5-18(17)24-21/h2-7,12,27H,8-11,13H2,1H3,(H,23,24)