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

Systemtic Name: 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[[4-(1-pyrazolyl)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-(4-pyrazol-1-ylbenzyl)piperidin-1-ium-4-carboxamide Formula: C16H21N4O+ MolecularWeight: 285.36414

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H20N4O/c17-16(21)14-6-10-19(11-7-14)12-13-2-4-15(5-3-13)20-9-1-8-18-20/h1-5,8-9,14H,6-7,10-12H2,(H2,17,21)/p+1