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

Systemtic Name: ethyl 1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[[1-(3-chlorophenyl)-4-pyrazolyl]methyl]-4-(2-methoxyethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29ClN3O3+ MolecularWeight: 406.92626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C3=CC(=CC=C3)Cl)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2)C3=CC(=CC=C3)Cl)CCOC

InChI

InChI=1S/C21H28ClN3O3/c1-3-28-20(26)21(9-12-27-2)7-10-24(11-8-21)15-17-14-23-25(16-17)19-6-4-5-18(22)13-19/h4-6,13-14,16H,3,7-12,15H2,1-2H3/p+1