3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-oxidanyl-1-(phenylmethyl)-3H-quinolin-1-ium-4-one

Systemtic Name: 3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-oxidanyl-1-(phenylmethyl)-3H-quinolin-1-ium-4-one Openeye Name: 1-benzyl-2-hydroxy-3-(6-morpholino-1H-benzimidazol-2-yl)-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-3-[6-(4-morpholinyl)-1H-benzimidazol-2-yl]-1-(phenylmethyl)-3H-quinolin-1-ium-4-one IUPAC Name: 1-benzyl-2-hydroxy-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-3H-quinolin-1-ium-4-one Traditional Name: 1-benzyl-2-hydroxy-3-(6-morpholino-1H-benzimidazol-2-yl)-3H-quinolin-1-ium-4-one Formula: C27H25N4O3+ MolecularWeight: 453.5124

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2)N=C(N3)C4C(=O)C5=CC=CC=C5[N+](=C4O)CC6=CC=CC=C6

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2)N=C(N3)C4C(=O)C5=CC=CC=C5[N+](=C4O)CC6=CC=CC=C6

InChI

InChI=1S/C27H24N4O3/c32-25-20-8-4-5-9-23(20)31(17-18-6-2-1-3-7-18)27(33)24(25)26-28-21-11-10-19(16-22(21)29-26)30-12-14-34-15-13-30/h1-11,16,24H,12-15,17H2,(H,28,29)/p+1