ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H24N3O2+ MolecularWeight: 314.40206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H23N3O2/c1-2-23-18(22)15-8-10-21(11-9-15)13-16-12-19-20-17(16)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11,13H2,1H3,(H,19,20)/p+1