2,4-dimethyl-5-[[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2,4-dimethyl-5-[[4-(4-pyridin-2-yl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Openeye Name: 2,4-dimethyl-5-[[4-[4-(2-pyridyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]thiazole CAS Name: 2,4-dimethyl-5-[[4-[4-(2-pyridinyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]thiazole IUPAC Name: 2,4-dimethyl-5-[[4-(4-pyridin-2-yltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-1,3-thiazole Traditional Name: 2,4-dimethyl-5-[[4-[4-(2-pyridyl)triazol-1-yl]piperidin-1-ium-1-yl]methyl]thiazole Formula: C18H23N6S+ MolecularWeight: 355.48042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C[NH+]2CCC(CC2)N3C=C(N=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(SC(=N1)C)C[NH+]2CCC(CC2)N3C=C(N=N3)C4=CC=CC=N4

InChI

InChI=1S/C18H22N6S/c1-13-18(25-14(2)20-13)12-23-9-6-15(7-10-23)24-11-17(21-22-24)16-5-3-4-8-19-16/h3-5,8,11,15H,6-7,9-10,12H2,1-2H3/p+1