(2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide

Systemtic Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-phenethyl-propanamide CAS Name: (2R)-2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-N-phenethylpropanamide IUPAC Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-phenethylpropanamide Traditional Name: (2R)-2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]-N-phenethyl-propionamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c1-17(21(26)23-11-10-18-6-3-2-4-7-18)24-12-14-25(15-13-24)20-9-5-8-19(22)16-20/h2-9,16-17H,10-15H2,1H3,(H,23,26)/p+1/t17-/m1/s1