ethyl 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H22Cl2N3O2+ MolecularWeight: 383.29218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O2/c1-2-25-18(24)12-5-7-23(8-6-12)11-13-10-21-22-17(13)15-4-3-14(19)9-16(15)20/h3-4,9-10,12H,2,5-8,11H2,1H3,(H,21,22)/p+1