1-[4-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone

Systemtic Name: 1-[4-[(3S)-3-(4-chloranyl-2-methyl-phenyl)carbonylpiperidin-1-ium-1-yl]piperidin-1-yl]ethanone Openeye Name: 1-[4-[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]-1-piperidyl]ethanone CAS Name: 1-[4-[(3S)-3-[(4-chloro-2-methylphenyl)-oxomethyl]-1-piperidin-1-iumyl]-1-piperidinyl]ethanone IUPAC Name: 1-[4-[(3S)-3-(4-chloro-2-methylbenzoyl)piperidin-1-ium-1-yl]piperidin-1-yl]ethanone Traditional Name: 1-[4-[(3S)-3-(4-chloro-2-methyl-benzoyl)piperidin-1-ium-1-yl]piperidino]ethanone Formula: C20H28ClN2O2+ MolecularWeight: 363.90152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)C(=O)C2CCC[NH+](C2)C3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C20H27ClN2O2/c1-14-12-17(21)5-6-19(14)20(25)16-4-3-9-23(13-16)18-7-10-22(11-8-18)15(2)24/h5-6,12,16,18H,3-4,7-11,13H2,1-2H3/p+1/t16-/m0/s1