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

Systemtic Name: 3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(m-tolyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(m-tolyl)piperazin-1-ium-1-yl]propionate Formula: C14H20N2O2 MolecularWeight: 248.3208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCC(=O)[O-]

InChI

InChI=1S/C14H20N2O2/c1-12-3-2-4-13(11-12)16-9-7-15(8-10-16)6-5-14(17)18/h2-4,11H,5-10H2,1H3,(H,17,18)