methyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate

Systemtic Name: methyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate Openeye Name: methyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate CAS Name: 2-[3-(4-methyl-1-piperazine-1,4-diiumyl)propoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoate Traditional Name: 2-[3-(4-methylpiperazine-1,4-diium-1-yl)propoxy]benzoic acid methyl ester Formula: C16H26N2O3+2 MolecularWeight: 294.38924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCOC2=CC=CC=C2C(=O)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCOC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C16H24N2O3/c1-17-9-11-18(12-10-17)8-5-13-21-15-7-4-3-6-14(15)16(19)20-2/h3-4,6-7H,5,8-13H2,1-2H3/p+2