1-[3-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[(3S)-3-[(3-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C21H23ClNO2+ MolecularWeight: 356.86582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClNO2/c1-15(24)17-6-2-5-16(11-17)13-23-10-4-8-19(14-23)21(25)18-7-3-9-20(22)12-18/h2-3,5-7,9,11-12,19H,4,8,10,13-14H2,1H3/p+1/t19-/m0/s1