methyl 4-[6-(4-methylpiperazine-1,4-diium-1-yl)hexoxy]benzoate

Systemtic Name: methyl 4-[6-(4-methylpiperazine-1,4-diium-1-yl)hexoxy]benzoate Openeye Name: methyl 4-[6-(4-methylpiperazine-1,4-diium-1-yl)hexoxy]benzoate CAS Name: 4-[6-(4-methyl-1-piperazine-1,4-diiumyl)hexoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[6-(4-methylpiperazine-1,4-diium-1-yl)hexoxy]benzoate Traditional Name: 4-[6-(4-methylpiperazine-1,4-diium-1-yl)hexoxy]benzoic acid methyl ester Formula: C19H32N2O3+2 MolecularWeight: 336.46898

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCCCOC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCCCOC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H30N2O3/c1-20-12-14-21(15-13-20)11-5-3-4-6-16-24-18-9-7-17(8-10-18)19(22)23-2/h7-10H,3-6,11-16H2,1-2H3/p+2