methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]azanium

Systemtic Name: methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]azanium Openeye Name: methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]ammonium CAS Name: methyl-[[1-[(5-methyl-2-furanyl)methyl]-4-piperidin-1-iumyl]methyl]-[[3-(methylthio)phenyl]methyl]ammonium IUPAC Name: methyl-[[1-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-4-yl]methyl]-[(3-methylsulfanylphenyl)methyl]azanium Traditional Name: methyl-[[1-[(5-methyl-2-furyl)methyl]piperidin-1-ium-4-yl]methyl]-[3-(methylthio)benzyl]ammonium Formula: C21H32N2OS+2 MolecularWeight: 360.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC(=CC=C3)SC

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCC(CC2)C[NH+](C)CC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H30N2OS/c1-17-7-8-20(24-17)16-23-11-9-18(10-12-23)14-22(2)15-19-5-4-6-21(13-19)25-3/h4-8,13,18H,9-12,14-16H2,1-3H3/p+2