methyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxylate CAS Name: 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: 1-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C20H28ClN2O3+ MolecularWeight: 379.90092

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC[NH+]1C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)C1CCC[NH+]1C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3

InChI

InChI=1S/C20H27ClN2O3/c1-26-20(25)17-8-5-13-23(17)18(14-9-11-15(21)12-10-14)19(24)22-16-6-3-2-4-7-16/h9-12,16-18H,2-8,13H2,1H3,(H,22,24)/p+1