methyl 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate

Systemtic Name: methyl 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Openeye Name: methyl 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzoic acid methyl ester Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H20N2O2/c1-15-6-8-16(9-7-15)11-12-4-3-5-13(10-12)14(17)18-2/h3-5,10H,6-9,11H2,1-2H3/p+1