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

Systemtic Name: 2-methyl-5-[[4-[4-(phenylmethyl)-1,2,3-triazol-1-yl]piperidin-1-ium-1-yl]methyl]pyrimidine Openeye Name: 5-[[4-(4-benzyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-pyrimidine CAS Name: 2-methyl-5-[[4-[4-(phenylmethyl)-1-triazolyl]-1-piperidin-1-iumyl]methyl]pyrimidine IUPAC Name: 5-[[4-(4-benzyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methylpyrimidine Traditional Name: 5-[[4-(4-benzyltriazol-1-yl)piperidin-1-ium-1-yl]methyl]-2-methyl-pyrimidine Formula: C20H25N6+ MolecularWeight: 349.4527

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=NC=C(C=N1)C[NH+]2CCC(CC2)N3C=C(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N6/c1-16-21-12-18(13-22-16)14-25-9-7-20(8-10-25)26-15-19(23-24-26)11-17-5-3-2-4-6-17/h2-6,12-13,15,20H,7-11,14H2,1H3/p+1