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

Systemtic Name: 6-chloranyl-1-methyl-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 6-chloro-2-hydroxy-1-methyl-3-(6-morpholino-1H-benzimidazol-2-yl)-3H-quinolin-1-ium-4-one CAS Name: 6-chloro-2-hydroxy-1-methyl-3-[6-(4-morpholinyl)-1H-benzimidazol-2-yl]-3H-quinolin-1-ium-4-one IUPAC Name: 6-chloro-2-hydroxy-1-methyl-3-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-3H-quinolin-1-ium-4-one Traditional Name: 6-chloro-2-hydroxy-1-methyl-3-(6-morpholino-1H-benzimidazol-2-yl)-3H-quinolin-1-ium-4-one Formula: C21H20ClN4O3+ MolecularWeight: 411.8615

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=C1C=CC(=C2)Cl)C3=NC4=C(N3)C=C(C=C4)N5CCOCC5)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=C1C=CC(=C2)Cl)C3=NC4=C(N3)C=C(C=C4)N5CCOCC5)O

InChI

InChI=1S/C21H19ClN4O3/c1-25-17-5-2-12(22)10-14(17)19(27)18(21(25)28)20-23-15-4-3-13(11-16(15)24-20)26-6-8-29-9-7-26/h2-5,10-11,18H,6-9H2,1H3,(H,23,24)/p+1