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

Systemtic Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C21H26ClN2O+ MolecularWeight: 357.89694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Cl)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1Cl)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H25ClN2O/c1-16(19-7-3-4-8-20(19)22)23-21(25)18-11-9-17(10-12-18)15-24-13-5-2-6-14-24/h3-4,7-12,16H,2,5-6,13-15H2,1H3,(H,23,25)/p+1/t16-/m0/s1