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

Systemtic Name: methyl 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[[5-(4-chlorophenyl)-2-methyl-3-pyrazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[5-(4-chlorophenyl)-2-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[[5-(4-chlorophenyl)-2-methyl-pyrazol-3-yl]amino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24ClN4O3+ MolecularWeight: 391.87186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CN1C(=CC(=N1)C2=CC=C(C=C2)Cl)NC(=O)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23ClN4O3/c1-23-17(11-16(22-23)13-3-5-15(20)6-4-13)21-18(25)12-24-9-7-14(8-10-24)19(26)27-2/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,25)/p+1