3-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole

Systemtic Name: 3-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole Openeye Name: 3-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole CAS Name: 3-[[(2S)-2-(2-pyridinyl)-1-piperidin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1H-indazole IUPAC Name: 3-[[(2S)-2-pyridin-2-ylpiperidin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole Traditional Name: 3-[[(2S)-2-(2-pyridyl)piperidin-1-ium-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole Formula: C18H25N4+ MolecularWeight: 297.4179

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=CC=CC=N2)CC3=NNC4=C3CCCC4

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=CC=CC=N2)CC3=NNC4=C3CCCC4

InChI

InChI=1S/C18H24N4/c1-2-8-15-14(7-1)17(21-20-15)13-22-12-6-4-10-18(22)16-9-3-5-11-19-16/h3,5,9,11,18H,1-2,4,6-8,10,12-13H2,(H,20,21)/p+1/t18-/m0/s1