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

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 3-methylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic 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-methylbenzoate Traditional Name: 3-methylbenzoic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C16H26N2O2+2 MolecularWeight: 278.38984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC(C)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)O[C@H](C)C[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C16H24N2O2/c1-13-5-4-6-15(11-13)16(19)20-14(2)12-18-9-7-17(3)8-10-18/h4-6,11,14H,7-10,12H2,1-3H3/p+2/t14-/m1/s1