N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[(1S)-1-(3-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=C1)Cl)NC(=O)C2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O/c1-16(19-6-5-7-20(22)14-19)23-21(25)18-10-8-17(9-11-18)15-24-12-3-2-4-13-24/h5-11,14,16H,2-4,12-13,15H2,1H3,(H,23,25)/p+1/t16-/m0/s1