[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3,4-dimethoxybenzoate

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [(2R)-1-(4-methyl-1-piperazine-1,4-diiumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C17H28N2O4+2 MolecularWeight: 324.41522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O4/c1-13(12-19-9-7-18(2)8-10-19)23-17(20)14-5-6-15(21-3)16(11-14)22-4/h5-6,11,13H,7-10,12H2,1-4H3/p+2/t13-/m1/s1