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

Systemtic Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-[(2-chlorophenyl)methyl]-1-[(1,3-dimethyl-4-pyrazolyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-chlorophenyl)methyl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 4-(2-chlorobenzyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H29ClN3O2+ MolecularWeight: 390.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C)C)CC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CN(N=C2C)C)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H28ClN3O2/c1-4-27-20(26)21(13-17-7-5-6-8-19(17)22)9-11-25(12-10-21)15-18-14-24(3)23-16(18)2/h5-8,14H,4,9-13,15H2,1-3H3/p+1