methyl 1-[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(5-cyclopropyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C21H27N4O3+ MolecularWeight: 383.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC(=NN2C3=CC=CC=C3)C4CC4

InChI

InChI=1S/C21H26N4O3/c1-28-21(27)16-9-11-24(12-10-16)14-20(26)22-19-13-18(15-7-8-15)23-25(19)17-5-3-2-4-6-17/h2-6,13,15-16H,7-12,14H2,1H3,(H,22,26)/p+1