N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-[(methylthio)methyl]-2-furancarboxamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-(methylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-[(methylthio)methyl]-2-furamide Formula: C18H31N3O2S+2 MolecularWeight: 353.52264

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=C(O3)CSC

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=C(O3)CSC

InChI

InChI=1S/C18H29N3O2S/c1-20-10-7-15(8-11-20)21-9-3-4-14(12-21)19-18(22)17-6-5-16(23-17)13-24-2/h5-6,14-15H,3-4,7-13H2,1-2H3,(H,19,22)/p+2/t14-/m0/s1