2-methyl-6-[3-(1-phenylpiperazin-1-ium-1-yl)propylamino]benzamide

Systemtic Name: 2-methyl-6-[3-(1-phenylpiperazin-1-ium-1-yl)propylamino]benzamide Openeye Name: 2-methyl-6-[3-(1-phenylpiperazin-1-ium-1-yl)propylamino]benzamide CAS Name: 2-methyl-6-[3-(1-phenyl-1-piperazin-1-iumyl)propylamino]benzamide IUPAC Name: 2-methyl-6-[3-(1-phenylpiperazin-1-ium-1-yl)propylamino]benzamide Traditional Name: 2-methyl-6-[3-(1-phenylpiperazin-1-ium-1-yl)propylamino]benzamide Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NCCC[N+]2(CCNCC2)C3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)NCCC[N+]2(CCNCC2)C3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C21H28N4O/c1-17-7-5-10-19(20(17)21(22)26)24-11-6-14-25(15-12-23-13-16-25)18-8-3-2-4-9-18/h2-5,7-10,23H,6,11-16H2,1H3,(H2-,22,24,26)/p+1