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

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 4-methylbenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 4-methylbenzoate CAS Name: 4-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] 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OC(C)C[NH+]2CC[NH+](CC2)C

Isomeric SMILES

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

InChI

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