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

Systemtic Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazino]methyl]-3-(3-methyl-1H-benzimidazol-3-ium-2-yl)chromone Formula: C26H31N4O4+ MolecularWeight: 463.54874

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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)CCO)O

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4/c1-3-17-14-18-24(33)20(26-27-21-6-4-5-7-22(21)28(26)2)16-34-25(18)19(23(17)32)15-30-10-8-29(9-11-30)12-13-31/h4-7,14,16,31H,3,8-13,15H2,1-2H3,(H,32,33)/p+1