ethyl 2,4-dimethyl-5-[[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[1-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[1-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-4-piperidin-1-iumyl]amino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-ium-4-yl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[[1-(2-keto-2-pyrrolidino-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H33N4O4+ MolecularWeight: 405.51112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CC[NH+](CC2)CC(=O)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2CC[NH+](CC2)CC(=O)N3CCCC3)C

InChI

InChI=1S/C21H32N4O4/c1-4-29-21(28)18-14(2)19(22-15(18)3)20(27)23-16-7-11-24(12-8-16)13-17(26)25-9-5-6-10-25/h16,22H,4-13H2,1-3H3,(H,23,27)/p+1