[1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium

Systemtic Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: [1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-1-iumyl]methyl-methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: [1-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-4-yl]methyl-methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]ammonium Formula: C22H34N4OS+2 MolecularWeight: 402.59656

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CN=C(N=C3)SC

Isomeric SMILES

C[NH+](CC1CC[NH+](CC1)CCC2=CC=C(C=C2)OC)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C22H32N4OS/c1-25(17-20-14-23-22(28-3)24-15-20)16-19-9-12-26(13-10-19)11-8-18-4-6-21(27-2)7-5-18/h4-7,14-15,19H,8-13,16-17H2,1-3H3/p+2