(3S)-1-(7-chloranylquinolin-1-ium-4-yl)piperidine-3-carboxylate

Systemtic Name: (3S)-1-(7-chloranylquinolin-1-ium-4-yl)piperidine-3-carboxylate Openeye Name: (3S)-1-(7-chloroquinolin-1-ium-4-yl)piperidine-3-carboxylate CAS Name: (3S)-1-(7-chloro-4-quinolin-1-iumyl)-3-piperidinecarboxylate IUPAC Name: (3S)-1-(7-chloroquinolin-1-ium-4-yl)piperidine-3-carboxylate Traditional Name: (3S)-1-(7-chloroquinolin-1-ium-4-yl)nipecotate Formula: C15H15ClN2O2 MolecularWeight: 290.7448

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl)C(=O)[O-]

InChI

InChI=1S/C15H15ClN2O2/c16-11-3-4-12-13(8-11)17-6-5-14(12)18-7-1-2-10(9-18)15(19)20/h3-6,8,10H,1-2,7,9H2,(H,19,20)/t10-/m0/s1