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

Systemtic Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-(o-tolyl)acetamide CAS Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-(o-tolyl)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)NC3=CC=CC=C3C

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H27N3O/c1-16-8-10-19(11-9-16)24-13-12-23(14-18(24)3)15-21(25)22-20-7-5-4-6-17(20)2/h4-11,18H,12-15H2,1-3H3,(H,22,25)/p+1/t18-/m0/s1