2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,4-dimethylpentyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(1S)-1,4-dimethylpentyl]acetamide Formula: C19H31ClN3O+ MolecularWeight: 352.92194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C19H30ClN3O/c1-15(2)7-8-16(3)21-19(24)14-22-9-11-23(12-10-22)18-6-4-5-17(20)13-18/h4-6,13,15-16H,7-12,14H2,1-3H3,(H,21,24)/p+1/t16-/m0/s1