ethyl 1-(7-chloranylquinolin-1-ium-4-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(7-chloranylquinolin-1-ium-4-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(7-chloroquinolin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 1-(7-chloro-4-quinolin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(7-chloroquinolin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 1-(7-chloroquinolin-1-ium-4-yl)isonipecotic acid ethyl ester Formula: C17H20ClN2O2+ MolecularWeight: 319.8059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C=CC(=CC3=[NH+]C=C2)Cl

InChI

InChI=1S/C17H19ClN2O2/c1-2-22-17(21)12-6-9-20(10-7-12)16-5-8-19-15-11-13(18)3-4-14(15)16/h3-5,8,11-12H,2,6-7,9-10H2,1H3/p+1