ethyl 1-[6-chloranyl-3-(phenylcarbonyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-chloranyl-3-(phenylcarbonyl)quinolin-1-ium-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-(3-benzoyl-6-chloro-quinolin-1-ium-4-yl)piperidine-4-carboxylate CAS Name: 1-(3-benzoyl-6-chloro-4-quinolin-1-iumyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-benzoyl-6-chloroquinolin-1-ium-4-yl)piperidine-4-carboxylate Traditional Name: 1-(3-benzoyl-6-chloro-quinolin-1-ium-4-yl)isonipecotic acid ethyl ester Formula: C24H24ClN2O3+ MolecularWeight: 423.91196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C3C=C(C=CC3=[NH+]C=C2C(=O)C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H23ClN2O3/c1-2-30-24(29)17-10-12-27(13-11-17)22-19-14-18(25)8-9-21(19)26-15-20(22)23(28)16-6-4-3-5-7-16/h3-9,14-15,17H,2,10-13H2,1H3/p+1