methyl 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate

Systemtic Name: methyl 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate Openeye Name: methyl 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate CAS Name: 4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoate Traditional Name: 4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzoic acid methyl ester Formula: C14H22N2O2+2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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