2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]ethanamide

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]ethanamide Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]acetamide CAS Name: 2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-[(2R)-2-phenylbutyl]acetamide IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]acetamide Traditional Name: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-[(2R)-2-phenylbutyl]acetamide Formula: C22H29ClN3O+ MolecularWeight: 386.93816

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[C@@H](CNC(=O)C[NH+]1CCN(CC1)C2=CC(=CC=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H28ClN3O/c1-2-18(19-7-4-3-5-8-19)16-24-22(27)17-25-11-13-26(14-12-25)21-10-6-9-20(23)15-21/h3-10,15,18H,2,11-14,16-17H2,1H3,(H,24,27)/p+1/t18-/m0/s1