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

Systemtic Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]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)NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O/c1-17-9-11-21(12-10-17)25-14-13-24(15-18(25)2)16-22(26)23-19(3)20-7-5-4-6-8-20/h4-12,18-19H,13-16H2,1-3H3,(H,23,26)/p+1/t18-,19-/m0/s1