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

Systemtic Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18-8-10-21(11-9-18)25-15-14-24(16-19(25)2)17-22(26)23-13-12-20-6-4-3-5-7-20/h3-11,19H,12-17H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1