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

Systemtic Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Openeye Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]ammonium CAS Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]methyl]-[[2-(methylthio)-5-pyrimidinyl]methyl]ammonium IUPAC Name: 2-methoxyethyl-[[1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]methyl]-[(2-methylsulfanylpyrimidin-5-yl)methyl]azanium Traditional Name: 2-methoxyethyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-[(1-o-anisylpiperidin-1-ium-4-yl)methyl]ammonium Formula: C23H36N4O2S+2 MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

COCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)CC3=CN=C(N=C3)SC

Isomeric SMILES

COCC[NH+](CC1CC[NH+](CC1)CC2=CC=CC=C2OC)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C23H34N4O2S/c1-28-13-12-27(17-20-14-24-23(30-3)25-15-20)16-19-8-10-26(11-9-19)18-21-6-4-5-7-22(21)29-2/h4-7,14-15,19H,8-13,16-18H2,1-3H3/p+2