2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-8-10-20(11-9-17)24-13-12-23(15-18(24)2)16-21(25)22-14-19-6-4-3-5-7-19/h3-11,18H,12-16H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1