6-ethyl-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 6-ethyl-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]methyl]-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]methyl]-3-(1-methylbenzimidazol-2-yl)chromone Formula: C26H32N4O4+2 MolecularWeight: 464.55668

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CC[NH+](CC5)CCO)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC4=CC=CC=C4N3C)C[NH+]5CC[NH+](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/h4-7,14,16,31-32H,3,8-13,15H2,1-2H3/p+2