methyl 2-(ethoxycarbonylamino)-3-oxidanylidene-2-piperidin-4-yl-1-pyridin-4-yl-piperidin-1-ium-1-carboxylate

Systemtic Name: methyl 2-(ethoxycarbonylamino)-3-oxidanylidene-2-piperidin-4-yl-1-pyridin-4-yl-piperidin-1-ium-1-carboxylate Openeye Name: methyl 2-(ethoxycarbonylamino)-3-oxo-2-(4-piperidyl)-1-(4-pyridyl)piperidin-1-ium-1-carboxylate CAS Name: 2-(ethoxycarbonylamino)-3-oxo-2-(4-piperidinyl)-1-pyridin-4-yl-1-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 2-(ethoxycarbonylamino)-3-oxo-2-piperidin-4-yl-1-pyridin-4-ylpiperidin-1-ium-1-carboxylate Traditional Name: 2-(carbethoxyamino)-3-keto-2-(4-piperidyl)-1-(4-pyridyl)piperidin-1-ium-1-carboxylic acid methyl ester Formula: C20H29N4O5+ MolecularWeight: 405.46806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1(C(=O)CCC[N+]1(C2=CC=NC=C2)C(=O)OC)C3CCNCC3

Isomeric SMILES

CCOC(=O)NC1(C(=O)CCC[N+]1(C2=CC=NC=C2)C(=O)OC)C3CCNCC3

InChI

InChI=1S/C20H28N4O5/c1-3-29-18(26)23-20(15-6-10-21-11-7-15)17(25)5-4-14-24(20,19(27)28-2)16-8-12-22-13-9-16/h8-9,12-13,15,21H,3-7,10-11,14H2,1-2H3/p+1