ethyl (3S)-1-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C18H26N2O5/c1-5-25-17(22)13-7-6-8-20(9-13)10-14(21)16-11(2)15(12(3)19-16)18(23)24-4/h13,19H,5-10H2,1-4H3/p+1/t13-/m0/s1