3-[(3S)-3-(4-dimethylaminophenyl)-3-(pyridin-4-ylmethylazaniumyl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate

Systemtic Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(pyridin-4-ylmethylazaniumyl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(4-pyridylmethylammonio)propanoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(3S)-3-(4-dimethylaminophenyl)-1-oxo-3-(pyridin-4-ylmethylammonio)propyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(pyridin-4-ylmethylazaniumyl)propanoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(3S)-3-(4-dimethylaminophenyl)-3-(4-pyridylmethylammonio)propanoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C27H28N4O3 MolecularWeight: 456.53622

Click to see the large picture

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)[NH2+]CC4=CC=NC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1[O-])C(=O)C[C@@H](C3=CC=C(C=C3)N(C)C)[NH2+]CC4=CC=NC=C4

InChI

InChI=1S/C27H28N4O3/c1-30(2)20-10-8-19(9-11-20)22(29-17-18-12-14-28-15-13-18)16-24(32)25-26(33)21-6-4-5-7-23(21)31(3)27(25)34/h4-15,22,29,34H,16-17H2,1-3H3/t22-/m0/s1