N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

Systemtic Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide CAS Name: N-ethyl-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-5-[(methylthio)methyl]-2-furancarboxamide IUPAC Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-5-[(methylthio)methyl]-2-furamide Formula: C21H37N3O2S+2 MolecularWeight: 395.60238

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC=C(O3)CSC

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=CC=C(O3)CSC

InChI

InChI=1S/C21H35N3O2S/c1-4-23(21(25)20-6-5-19(26-20)16-27-3)15-17-7-13-24(14-8-17)18-9-11-22(2)12-10-18/h5-6,17-18H,4,7-16H2,1-3H3/p+2