N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide

Systemtic Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide Openeye Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide CAS Name: N-[(2S)-2-(4-chlorophenyl)-2-(1-piperidin-1-iumyl)ethyl]-4-methylbenzamide IUPAC Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-ylethyl]-4-methylbenzamide Traditional Name: N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-methyl-benzamide Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=C(C=C2)Cl)[NH+]3CCCCC3

InChI

InChI=1S/C21H25ClN2O/c1-16-5-7-18(8-6-16)21(25)23-15-20(24-13-3-2-4-14-24)17-9-11-19(22)12-10-17/h5-12,20H,2-4,13-15H2,1H3,(H,23,25)/p+1/t20-/m1/s1