[2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium

Systemtic Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: [2-[cyclohexyl(methyl)amino]-3-pyridin-1-iumyl]methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: [2-[cyclohexyl(methyl)amino]pyridin-1-ium-3-yl]methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C19H29N5S+2 MolecularWeight: 359.53206

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CN=C(N=C3)SC

Isomeric SMILES

CN(C1CCCCC1)C2=C(C=CC=[NH+]2)C[NH2+]CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H27N5S/c1-24(17-8-4-3-5-9-17)18-16(7-6-10-21-18)14-20-11-15-12-22-19(25-2)23-13-15/h6-7,10,12-13,17,20H,3-5,8-9,11,14H2,1-2H3/p+2