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

Systemtic Name: methyl 3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(m-tolyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(m-tolyl)piperazin-1-ium-1-yl]propionic acid methyl ester Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2/c1-13-4-3-5-14(12-13)17-10-8-16(9-11-17)7-6-15(18)19-2/h3-5,12H,6-11H2,1-2H3/p+1