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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H28ClN3O/c1-2-8-20(18-9-4-3-5-10-18)24-22(27)17-25-13-15-26(16-14-25)21-12-7-6-11-19(21)23/h3-7,9-12,20H,2,8,13-17H2,1H3,(H,24,27)/p+1/t20-/m1/s1