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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C[NH+]2CCC(CC2)CN3C=C(N=N3)C4=CC=CC=N4

Isomeric SMILES

CC1=NC=C(S1)C[NH+]2CCC(CC2)CN3C=C(N=N3)C4=CC=CC=N4

InChI

InChI=1S/C18H22N6S/c1-14-20-10-16(25-14)12-23-8-5-15(6-9-23)11-24-13-18(21-22-24)17-4-2-3-7-19-17/h2-4,7,10,13,15H,5-6,8-9,11-12H2,1H3/p+1