(2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide

Systemtic Name: (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylpropanamide Traditional Name: (2S)-2-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]-N-methyl-N-phenyl-propionamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)N(C)C1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H26ClN3O/c1-17(21(26)23(2)20-6-4-3-5-7-20)25-14-12-24(13-15-25)16-18-8-10-19(22)11-9-18/h3-11,17H,12-16H2,1-2H3/p+1/t17-/m0/s1