methyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(2-cyclopentyl-3-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=NN2C3CCCC3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=NN2C3CCCC3

InChI

InChI=1S/C17H26N4O3/c1-24-17(23)13-7-10-20(11-8-13)12-16(22)19-15-6-9-18-21(15)14-4-2-3-5-14/h6,9,13-14H,2-5,7-8,10-12H2,1H3,(H,19,22)/p+1