3-[[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole

Systemtic Name: 3-[[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-[4-(2-pyridyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[4-(2-pyridinyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]-1H-indole IUPAC Name: 3-[[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1H-indole Traditional Name: 3-[[4-[4-(2-pyridyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]-1H-indole Formula: C21H23N6+ MolecularWeight: 359.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2C=C(N=N2)C3=CC=CC=N3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1N2C=C(N=N2)C3=CC=CC=N3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C21H22N6/c1-2-6-19-18(5-1)16(13-23-19)14-26-11-8-17(9-12-26)27-15-21(24-25-27)20-7-3-4-10-22-20/h1-7,10,13,15,17,23H,8-9,11-12,14H2/p+1