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

Systemtic Name: 3-[(3S)-3-(4-chlorophenyl)-3-(pyridin-4-ylmethylazaniumyl)propanoyl]-1-methyl-4-oxidanylidene-quinolin-2-olate Openeye Name: 3-[(3S)-3-(4-chlorophenyl)-3-(4-pyridylmethylammonio)propanoyl]-1-methyl-4-oxo-quinolin-2-olate CAS Name: 3-[(3S)-3-(4-chlorophenyl)-1-oxo-3-(pyridin-4-ylmethylammonio)propyl]-1-methyl-4-oxo-2-quinolinolate IUPAC Name: 3-[(3S)-3-(4-chlorophenyl)-3-(pyridin-4-ylmethylazaniumyl)propanoyl]-1-methyl-4-oxoquinolin-2-olate Traditional Name: 3-[(3S)-3-(4-chlorophenyl)-3-(4-pyridylmethylammonio)propanoyl]-4-keto-1-methyl-quinolin-2-olate Formula: C25H22ClN3O3 MolecularWeight: 447.91348

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

InChI

InChI=1S/C25H22ClN3O3/c1-29-21-5-3-2-4-19(21)24(31)23(25(29)32)22(30)14-20(17-6-8-18(26)9-7-17)28-15-16-10-12-27-13-11-16/h2-13,20,28,32H,14-15H2,1H3/t20-/m0/s1