(2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide

Systemtic Name: (2R)-2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)propanamide Openeye Name: (2R)-N-benzyl-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-N-benzyl-2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]propionamide Formula: C21H27ClN3O+ MolecularWeight: 372.91158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)C(C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)[C@H](C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H26ClN3O/c1-16-8-9-19(22)14-20(16)25-12-10-24(11-13-25)17(2)21(26)23-15-18-6-4-3-5-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1