1-[(3S,4R)-6-chloranyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3S,4R)-6-chloranyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3S,4R)-6-chloro-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3S,4R)-6-chloro-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3S,4R)-6-chloro-2-oxo-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3S,4R)-6-chloro-2-keto-4-phenyl-3,4-dihydro-1H-quinolin-3-yl]piperidin-1-ium-4-carboxylate Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])C2C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])[C@H]2[C@@H](C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21ClN2O3/c22-15-6-7-17-16(12-15)18(13-4-2-1-3-5-13)19(20(25)23-17)24-10-8-14(9-11-24)21(26)27/h1-7,12,14,18-19H,8-11H2,(H,23,25)(H,26,27)/t18-,19+/m1/s1