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

Systemtic Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: ethyl-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: ethyl-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-[3-(methylthio)benzyl]ammonium Formula: C22H40N3S+3 MolecularWeight: 378.6381

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC(=CC=C3)SC

Isomeric SMILES

CC[NH+](CC1CC[NH+](CC1)C2CC[NH+](CC2)C)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C22H37N3S/c1-4-24(18-20-6-5-7-22(16-20)26-3)17-19-8-14-25(15-9-19)21-10-12-23(2)13-11-21/h5-7,16,19,21H,4,8-15,17-18H2,1-3H3/p+3