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

Systemtic Name: [(2R)-1-(4-methylpiperazine-1,4-diium-1-yl)propan-2-yl] 2-(3-methylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] 2-(3-methylphenoxy)acetate CAS Name: 2-(3-methylphenoxy)acetic 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] 2-(3-methylphenoxy)acetate Traditional Name: 2-(3-methylphenoxy)acetic acid [(1R)-1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl] ester Formula: C17H28N2O3+2 MolecularWeight: 308.41582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O3/c1-14-5-4-6-16(11-14)21-13-17(20)22-15(2)12-19-9-7-18(3)8-10-19/h4-6,11,15H,7-10,12-13H2,1-3H3/p+2/t15-/m1/s1