[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl-[(3-methylsulfanylphenyl)methyl]-(pyridin-4-ylmethyl)azanium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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