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

Systemtic Name: methyl 5-[[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]amino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H25N4O4+ MolecularWeight: 337.3941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CC[NH+](CC2)CC(=O)N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CC[NH+](CC2)CC(=O)N

InChI

InChI=1S/C16H24N4O4/c1-9-13(16(23)24-3)10(2)18-14(9)15(22)19-11-4-6-20(7-5-11)8-12(17)21/h11,18H,4-8H2,1-3H3,(H2,17,21)(H,19,22)/p+1