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

Systemtic Name: 5-[[4-(4-cyclohexyl-1,2,3-triazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-pyrimidine Openeye Name: 5-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-pyrimidine CAS Name: 5-[[4-(4-cyclohexyl-1-triazolyl)-1-piperidin-1-iumyl]methyl]-2-methylpyrimidine IUPAC Name: 5-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methylpyrimidine Traditional Name: 5-[[4-(4-cyclohexyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-pyrimidine Formula: C19H29N6+ MolecularWeight: 341.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4CCCCC4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)C4CCCCC4

InChI

InChI=1S/C19H28N6/c1-15-20-11-16(12-21-15)13-24-9-7-18(8-10-24)25-14-19(22-23-25)17-5-3-2-4-6-17/h11-12,14,17-18H,2-10,13H2,1H3/p+1