methyl 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[[4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C17H21N3O2/c1-22-17(21)15-7-11-19(12-8-15)13-14-3-5-16(6-4-14)20-10-2-9-18-20/h2-6,9-10,15H,7-8,11-13H2,1H3/p+1