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

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one CAS Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-1-benzopyran-4-one IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromen-4-one Traditional Name: 3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazine-1,4-diium-1-yl)methyl]chromone Formula: C24H28N4O3+2 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3)C[NH+]5CC[NH+](CC5)C)O

InChI

InChI=1S/C24H26N4O3/c1-3-15-12-16-22(30)18(24-25-19-6-4-5-7-20(19)26-24)14-31-23(16)17(21(15)29)13-28-10-8-27(2)9-11-28/h4-7,12,14,29H,3,8-11,13H2,1-2H3,(H,25,26)/p+2