[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(4-methylsulfanylphenyl)methyl]-(4-pyridylmethyl)ammonium CAS Name: [1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl-[[4-(methylthio)phenyl]methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(4-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[4-(methylthio)benzyl]-(4-pyridylmethyl)ammonium Formula: C26H41N4S+3 MolecularWeight: 441.69554

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=C(C=C3)SC)CC4=CC=NC=C4

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC(CC2)C[NH+](CC3=CC=C(C=C3)SC)CC4=CC=NC=C4

InChI

InChI=1S/C26H38N4S/c1-28-15-11-25(12-16-28)30-17-9-24(10-18-30)21-29(20-23-7-13-27-14-8-23)19-22-3-5-26(31-2)6-4-22/h3-8,13-14,24-25H,9-12,15-21H2,1-2H3/p+3