6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 6-ethyl-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one CAS Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methyl-1-piperazinyl)methyl]-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazin-1-yl)methyl]chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-8-[(4-methylpiperazino)methyl]chromone Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=[N+](C4=CC=CC=C4N3)C)CN5CCN(CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=[N+](C4=CC=CC=C4N3)C)CN5CCN(CC5)C)O

InChI

InChI=1S/C25H28N4O3/c1-4-16-13-17-23(31)19(25-26-20-7-5-6-8-21(20)28(25)3)15-32-24(17)18(22(16)30)14-29-11-9-27(2)10-12-29/h5-8,13,15H,4,9-12,14H2,1-3H3,(H,30,31)/p+1