(3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[5-(p-tolyl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=NN2)C[NH+]3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H22N4O/c1-12-4-6-13(7-5-12)16-15(9-19-20-16)11-21-8-2-3-14(10-21)17(18)22/h4-7,9,14H,2-3,8,10-11H2,1H3,(H2,18,22)(H,19,20)/p+1/t14-/m1/s1