[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl-[[2-(methylthio)-5-pyrimidinyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl-[(2-methylsulfanylpyrimidin-5-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl-[[2-(methylthio)pyrimidin-5-yl]methyl]-(4-pyridylmethyl)ammonium Formula: C24H38N6S+2 MolecularWeight: 442.66372

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CN=C(N=C4)SC

Isomeric SMILES

CN1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=NC=C3)CC4=CN=C(N=C4)SC

InChI

InChI=1S/C24H36N6S/c1-28-11-7-23(8-12-28)30-13-5-21(6-14-30)18-29(17-20-3-9-25-10-4-20)19-22-15-26-24(31-2)27-16-22/h3-4,9-10,15-16,21,23H,5-8,11-14,17-19H2,1-2H3/p+2