3-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]pyridine

Systemtic Name: 3-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]pyridine Openeye Name: 3-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]pyridine CAS Name: 3-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]-1-piperidin-1-iumyl]methyl]pyridine IUPAC Name: 3-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]pyridine Traditional Name: 3-[[4-[4-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidin-1-ium-1-yl]methyl]pyridine Formula: C21H25N4O+ MolecularWeight: 349.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(NN=C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C21H24N4O/c1-26-19-6-2-5-18(12-19)20-14-23-24-21(20)17-7-10-25(11-8-17)15-16-4-3-9-22-13-16/h2-6,9,12-14,17H,7-8,10-11,15H2,1H3,(H,23,24)/p+1