[3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-chloranylbenzoate

Systemtic Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] 4-chloranylbenzoate Openeye Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl] ester IUPAC Name: [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [3-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C19H23ClN4O3S MolecularWeight: 422.92892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)C3CCCCC3)[O-])OC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)C3CCCCC3)[O-])OC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C19H23ClN4O3S/c1-23-11-16(27-18(25)14-7-9-15(20)10-8-14)24(26,12-23)19-22-21-17(28-19)13-5-3-2-4-6-13/h7-10,13,16H,2-6,11-12H2,1H3