2-[(2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine

Systemtic Name: 2-[(2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Openeye Name: 2-[(2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine CAS Name: 2-[(2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-2-piperidin-1-iumyl]pyridine IUPAC Name: 2-[(2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Traditional Name: 2-[(2S)-1-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]piperidin-1-ium-2-yl]pyridine Formula: C21H23N4O2+ MolecularWeight: 363.43292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CC=N2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CC=N2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O2/c1-3-9-22-17(5-1)18-6-2-4-10-25(18)13-16-12-23-24-21(16)15-7-8-19-20(11-15)27-14-26-19/h1,3,5,7-9,11-12,18H,2,4,6,10,13-14H2,(H,23,24)/p+1/t18-/m0/s1