3-[4-[(3R)-3-(3-chlorophenyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-[(3R)-3-(3-chlorophenyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-[(3R)-3-(3-chlorophenyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-[(3R)-3-(3-chlorophenyl)-1-oxo-3-phenylpropyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-[(3R)-3-(3-chlorophenyl)-3-phenylpropanoyl]piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-[(3R)-3-(3-chlorophenyl)-3-phenyl-propanoyl]piperazin-1-ium-1-yl]propionamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N)C(=O)CC(C2=CC=CC=C2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N)C(=O)C[C@H](C2=CC=CC=C2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H26ClN3O2/c23-19-8-4-7-18(15-19)20(17-5-2-1-3-6-17)16-22(28)26-13-11-25(12-14-26)10-9-21(24)27/h1-8,15,20H,9-14,16H2,(H2,24,27)/p+1/t20-/m1/s1