[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate Traditional Name: 2-pyrrolidinopyridin-1-ium-3-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H27N4O3+ MolecularWeight: 371.45338

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=C([NH+]=CC=C1)N2CCCC2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=C([NH+]=CC=C1)N2CCCC2)C3(CCCCC3)C#N

InChI

InChI=1S/C20H26N4O3/c1-23(20(15-21)9-3-2-4-10-20)17(25)14-27-19(26)16-8-7-11-22-18(16)24-12-5-6-13-24/h7-8,11H,2-6,9-10,12-14H2,1H3/p+1