methyl 4-(4-methylpiperazin-4-ium-1-yl)benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)benzoate Openeye Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-4-ium-1-yl)benzoate Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)benzoic acid methyl ester Formula: C13H19N2O2+ MolecularWeight: 235.30216

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H18N2O2/c1-14-7-9-15(10-8-14)12-5-3-11(4-6-12)13(16)17-2/h3-6H,7-10H2,1-2H3/p+1