(2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide

Systemtic Name: (2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: (2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: (2S)-2-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]-N-phenylpropanamide IUPAC Name: (2S)-2-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: (2S)-2-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]-N-phenyl-propionamide Formula: C20H25ClN3O+ MolecularWeight: 358.885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)[NH+]2CCN(CC2)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN3O/c1-16(20(25)22-19-8-3-2-4-9-19)24-12-10-23(11-13-24)15-17-6-5-7-18(21)14-17/h2-9,14,16H,10-13,15H2,1H3,(H,22,25)/p+1/t16-/m0/s1