ethyl 4-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate

Systemtic Name: ethyl 4-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propoxy]benzoate Openeye Name: ethyl 4-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzoate CAS Name: 4-[(2R)-3-[4-(2-chlorophenyl)-1-piperazin-1-iumyl]-2-hydroxypropoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]benzoate Traditional Name: 4-[(2R)-3-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-2-hydroxy-propoxy]benzoic acid ethyl ester Formula: C22H28ClN2O4+ MolecularWeight: 419.92172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H](C[NH+]2CCN(CC2)C3=CC=CC=C3Cl)O

InChI

InChI=1S/C22H27ClN2O4/c1-2-28-22(27)17-7-9-19(10-8-17)29-16-18(26)15-24-11-13-25(14-12-24)21-6-4-3-5-20(21)23/h3-10,18,26H,2,11-16H2,1H3/p+1/t18-/m1/s1