8-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-chromen-4-one

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-2-methyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one CAS Name: 8-(1-azepan-1-iumylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methyl-2-benzimidazolyl)-1-benzopyran-4-one IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromen-4-one Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-6-ethyl-7-hydroxy-2-methyl-3-(1-methylbenzimidazol-2-yl)chromone Formula: C27H32N3O3+ MolecularWeight: 446.56128

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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+]5CCCCCC5)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=NC4=CC=CC=C4N3C)C[NH+]5CCCCCC5)O

InChI

InChI=1S/C27H31N3O3/c1-4-18-15-19-25(32)23(27-28-21-11-7-8-12-22(21)29(27)3)17(2)33-26(19)20(24(18)31)16-30-13-9-5-6-10-14-30/h7-8,11-12,15,31H,4-6,9-10,13-14,16H2,1-3H3/p+1