3-[[(3S)-3-[(4-phenyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine

Systemtic Name: 3-[[(3S)-3-[(4-phenyl-1,2,3-triazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine Openeye Name: 3-[[(3S)-3-[(4-phenyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine CAS Name: 3-[[(3S)-3-[(4-phenyl-1-triazolyl)methyl]-1-piperidin-1-iumyl]methyl]-2-pyridinamine IUPAC Name: 3-[[(3S)-3-[(4-phenyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]pyridin-2-amine Traditional Name: [3-[[(3S)-3-[(4-phenyltriazol-1-yl)methyl]piperidin-1-ium-1-yl]methyl]-2-pyridyl]amine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(N=CC=C2)N)CN3C=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(N=CC=C2)N)CN3C=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6/c21-20-18(9-4-10-22-20)14-25-11-5-6-16(12-25)13-26-15-19(23-24-26)17-7-2-1-3-8-17/h1-4,7-10,15-16H,5-6,11-14H2,(H2,21,22)/p+1/t16-/m0/s1