3-[3-(4-dimethylaminophenyl)-3-(pyridin-3-ylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 3-[3-(4-dimethylaminophenyl)-3-(pyridin-3-ylamino)propanoyl]-1-methyl-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 3-[3-(4-dimethylaminophenyl)-3-(3-pyridylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one CAS Name: 3-[3-(4-dimethylaminophenyl)-1-oxo-3-(3-pyridinylamino)propyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one IUPAC Name: 3-[3-(4-dimethylaminophenyl)-3-(pyridin-3-ylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Traditional Name: 3-[3-(4-dimethylaminophenyl)-3-(3-pyridylamino)propanoyl]-2-hydroxy-1-methyl-3H-quinolin-1-ium-4-one Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)N(C)C)NC4=CN=CC=C4)O

Isomeric SMILES

C[N+]1=C(C(C(=O)C2=CC=CC=C21)C(=O)CC(C3=CC=C(C=C3)N(C)C)NC4=CN=CC=C4)O

InChI

InChI=1S/C26H26N4O3/c1-29(2)19-12-10-17(11-13-19)21(28-18-7-6-14-27-16-18)15-23(31)24-25(32)20-8-4-5-9-22(20)30(3)26(24)33/h4-14,16,21,24,28H,15H2,1-3H3/p+1