N-[4-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(3-chlorophenyl)carbonylpiperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-[(3-chlorophenyl)-oxomethyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(3-chlorobenzoyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C21H24ClN2O2+ MolecularWeight: 371.88046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H23ClN2O2/c1-15(25)23-20-9-7-16(8-10-20)13-24-11-3-5-18(14-24)21(26)17-4-2-6-19(22)12-17/h2,4,6-10,12,18H,3,5,11,13-14H2,1H3,(H,23,25)/p+1/t18-/m0/s1