ethyl 4-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 4-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylate CAS Name: 4-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methoxyethyl)-1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]-4-(2-methoxyethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H34N3O3+ MolecularWeight: 352.49156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)CC(C)C)CCOC

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC(=NN2)CC(C)C)CCOC

InChI

InChI=1S/C19H33N3O3/c1-5-25-18(23)19(8-11-24-4)6-9-22(10-7-19)14-17-13-16(20-21-17)12-15(2)3/h13,15H,5-12,14H2,1-4H3,(H,20,21)/p+1