[(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3,4,5-trimethoxybenzoate

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3,4,5-trimethoxybenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic 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] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C18H30N2O5+2 MolecularWeight: 354.4412

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-13(12-20-8-6-19(2)7-9-20)25-18(21)14-10-15(22-3)17(24-5)16(11-14)23-4/h10-11,13H,6-9,12H2,1-5H3/p+2/t13-/m1/s1