2-[2-[1-(4-methylphenyl)piperazin-1-ium-1-yl]propylamino]benzamide

Systemtic Name: 2-[2-[1-(4-methylphenyl)piperazin-1-ium-1-yl]propylamino]benzamide Openeye Name: 2-[2-[1-(p-tolyl)piperazin-1-ium-1-yl]propylamino]benzamide CAS Name: 2-[2-[1-(4-methylphenyl)-1-piperazin-1-iumyl]propylamino]benzamide IUPAC Name: 2-[2-[1-(4-methylphenyl)piperazin-1-ium-1-yl]propylamino]benzamide Traditional Name: 2-[2-[1-(p-tolyl)piperazin-1-ium-1-yl]propylamino]benzamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2(CCNCC2)C(C)CNC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2(CCNCC2)C(C)CNC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H28N4O/c1-16-7-9-18(10-8-16)25(13-11-23-12-14-25)17(2)15-24-20-6-4-3-5-19(20)21(22)26/h3-10,17,23H,11-15H2,1-2H3,(H2-,22,24,26)/p+1