ethyl (3S)-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H22Cl2N3O2+ MolecularWeight: 383.29218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=C(NN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N3O2/c1-2-25-18(24)12-4-3-7-23(10-12)11-13-9-21-22-17(13)15-6-5-14(19)8-16(15)20/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,21,22)/p+1/t12-/m0/s1