5-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine

Systemtic Name: 5-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine Openeye Name: 5-(p-tolylsulfonyl)-3-(3-pyridylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine CAS Name: 5-(4-methylphenyl)sulfonyl-3-(3-pyridinylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine IUPAC Name: 5-(4-methylphenyl)sulfonyl-3-(pyridin-3-ylmethyl)-2,4-dihydro-1H-1,3,5-triazin-5-ium-6-amine Traditional Name: [3-(3-pyridylmethyl)-5-tosyl-2,4-dihydro-1H-s-triazin-5-ium-6-yl]amine Formula: C16H20N5O2S+ MolecularWeight: 346.4273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NCN(C2)CC3=CN=CC=C3)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N+]2=C(NCN(C2)CC3=CN=CC=C3)N

InChI

InChI=1S/C16H19N5O2S/c1-13-4-6-15(7-5-13)24(22,23)21-12-20(11-19-16(21)17)10-14-3-2-8-18-9-14/h2-9H,10-12H2,1H3,(H2,17,19)/p+1