methyl 2-[4-[(4-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate

Systemtic Name: methyl 2-[4-[(4-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanoate Openeye Name: methyl 2-[4-(p-tolylmethyl)piperazine-1,4-diium-1-yl]acetate CAS Name: 2-[4-[(4-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[(4-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetate Traditional Name: 2-[4-(4-methylbenzyl)piperazine-1,4-diium-1-yl]acetic acid methyl ester Formula: C15H24N2O2+2 MolecularWeight: 264.36326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CC[NH+](CC2)CC(=O)OC

InChI

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