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

Systemtic Name: 2-methyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 2-methyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propanoate CAS Name: 2-methyl-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 2-methyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 2-methyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]propionate Formula: C15H22N2O2 MolecularWeight: 262.34738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-12-5-4-6-13(11-12)16-7-9-17(10-8-16)15(2,3)14(18)19/h4-6,11H,7-10H2,1-3H3,(H,18,19)