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

Systemtic Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-chromen-7-olate Openeye Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxo-chromen-7-olate CAS Name: 6-ethyl-2-methyl-3-(1-methyl-2-benzimidazolyl)-8-[(4-methyl-1-piperazin-1-iumyl)methyl]-4-oxo-1-benzopyran-7-olate IUPAC Name: 6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]-4-oxochromen-7-olate Traditional Name: 6-ethyl-4-keto-2-methyl-3-(1-methylbenzimidazol-2-yl)-8-[(4-methylpiperazin-1-ium-1-yl)methyl]chromen-7-olate Formula: C26H30N4O3 MolecularWeight: 446.5414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCN(CC5)C)[O-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCN(CC5)C)[O-]

InChI

InChI=1S/C26H30N4O3/c1-5-17-14-18-24(32)22(26-27-20-8-6-7-9-21(20)29(26)4)16(2)33-25(18)19(23(17)31)15-30-12-10-28(3)11-13-30/h6-9,14,31H,5,10-13,15H2,1-4H3