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

Systemtic Name: 5-methyl-2-[4-[4-(phenylmethyl)-1,2,3-triazol-1-yl]piperidin-1-yl]pyrimidin-1-ium-4-amine Openeye Name: 2-[4-(4-benzyltriazol-1-yl)-1-piperidyl]-5-methyl-pyrimidin-1-ium-4-amine CAS Name: 5-methyl-2-[4-[4-(phenylmethyl)-1-triazolyl]-1-piperidinyl]-4-pyrimidin-1-iumamine IUPAC Name: 2-[4-(4-benzyltriazol-1-yl)piperidin-1-yl]-5-methylpyrimidin-1-ium-4-amine Traditional Name: [2-[4-(4-benzyltriazol-1-yl)piperidino]-5-methyl-pyrimidin-1-ium-4-yl]amine Formula: C19H24N7+ MolecularWeight: 350.44076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)N3C=C(N=N3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)N3C=C(N=N3)CC4=CC=CC=C4

InChI

InChI=1S/C19H23N7/c1-14-12-21-19(22-18(14)20)25-9-7-17(8-10-25)26-13-16(23-24-26)11-15-5-3-2-4-6-15/h2-6,12-13,17H,7-11H2,1H3,(H2,20,21,22)/p+1