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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2/c1-2-9-25(18(5-1)16-4-3-8-22-11-16)13-17-12-23-24-21(17)15-6-7-19-20(10-15)27-14-26-19/h3-4,6-8,10-12,18H,1-2,5,9,13-14H2,(H,23,24)/p+1/t18-/m0/s1