3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(o-tolyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(o-tolyl)piperazin-1-ium-1-yl]propionamide Formula: C14H22N3O+ MolecularWeight: 248.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)N

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CCC(=O)N

InChI

InChI=1S/C14H21N3O/c1-12-4-2-3-5-13(12)17-10-8-16(9-11-17)7-6-14(15)18/h2-5H,6-11H2,1H3,(H2,15,18)/p+1