[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] 1-methylpyridin-1-ium-3-carboxylate

Systemtic Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] 1-methylpyridin-1-ium-3-carboxylate Openeye Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] 1-methylpyridin-1-ium-3-carboxylate CAS Name: 1-methyl-3-pyridin-1-iumcarboxylic acid [4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]cyclohexyl] ester IUPAC Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] 1-methylpyridin-1-ium-3-carboxylate Traditional Name: 1-methylpyridin-1-ium-3-carboxylic acid [4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl] ester Formula: C16H22ClN4O4+ MolecularWeight: 369.82328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)OC2CCC(CC2)NC(=O)N(CCCl)N=O

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)OC2CCC(CC2)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C16H21ClN4O4/c1-20-9-2-3-12(11-20)15(22)25-14-6-4-13(5-7-14)18-16(23)21(19-24)10-8-17/h2-3,9,11,13-14H,4-8,10H2,1H3/p+1