3-[(3R)-3-azaniumyl-3-(4-dimethylaminophenyl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[(3R)-3-azaniumyl-3-(4-dimethylaminophenyl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(3R)-3-azaniumyl-3-(4-dimethylaminophenyl)propanoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(3R)-3-ammonio-3-(4-dimethylaminophenyl)-1-oxopropyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(3R)-3-azaniumyl-3-(4-dimethylaminophenyl)propanoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(3R)-3-ammonio-3-(4-dimethylaminophenyl)propanoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)CC(C3=CC=C(C=C3)N(C)C)[NH3+]

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)C[C@H](C3=CC=C(C=C3)N(C)C)[NH3+]

InChI

InChI=1S/C21H23N3O3/c1-23(2)14-10-8-13(9-11-14)16(22)12-18(25)19-20(26)15-6-4-5-7-17(15)24(3)21(19)27/h4-11,16,27H,12,22H2,1-3H3/t16-/m1/s1