2-[2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide

Systemtic Name: 2-[2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]benzamide Openeye Name: 2-[[2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: 2-[[2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]benzamide IUPAC Name: 2-[[2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: 2-[[2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-15-7-9-17(10-8-15)25-12-11-24(13-16(25)2)14-20(26)23-19-6-4-3-5-18(19)21(22)27/h3-10,16H,11-14H2,1-2H3,(H2,22,27)(H,23,26)/p+1/t16-/m0/s1