[(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 4-ethoxybenzoate

Systemtic Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 4-ethoxybenzoate Openeye Name: [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] 4-ethoxybenzoate CAS Name: 4-ethoxybenzoic acid [(2R)-1-(4-methyl-1-piperazin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylpiperazin-4-ium-1-yl)propan-2-yl] 4-ethoxybenzoate Traditional Name: 4-ethoxybenzoic acid [(1R)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)ethyl] ester Formula: C17H27N2O3+ MolecularWeight: 307.40788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)OC(C)CN2CC[NH+](CC2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)O[C@H](C)CN2CC[NH+](CC2)C

InChI

InChI=1S/C17H26N2O3/c1-4-21-16-7-5-15(6-8-16)17(20)22-14(2)13-19-11-9-18(3)10-12-19/h5-8,14H,4,9-13H2,1-3H3/p+1/t14-/m1/s1