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

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methyl-4-piperidin-1-iumyl)methyl]-5-[(methylthio)methyl]-2-furancarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-5-(methylsulfanylmethyl)furan-2-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-N-[(1-methylpiperidin-1-ium-4-yl)methyl]-5-[(methylthio)methyl]-2-furamide Formula: C23H33N2O3S+ MolecularWeight: 417.58472

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)C3=CC=C(O3)CSC

Isomeric SMILES

C[NH+]1CCC(CC1)CN(CCC2=CC=C(C=C2)OC)C(=O)C3=CC=C(O3)CSC

InChI

InChI=1S/C23H32N2O3S/c1-24-13-10-19(11-14-24)16-25(15-12-18-4-6-20(27-2)7-5-18)23(26)22-9-8-21(28-22)17-29-3/h4-9,19H,10-17H2,1-3H3/p+1