N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[2-(2-furylmethylsulfanyl)ethyl]benzamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[2-(furan-2-ylmethylsulfanyl)ethyl]benzamide Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-N-[2-(2-furfurylthio)ethyl]benzamide Formula: C27H33N2O2S+ MolecularWeight: 449.62812

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C27H32N2O2S/c30-27(28-14-18-32-21-26-7-4-17-31-26)25-10-8-24(9-11-25)20-29-15-12-23(13-16-29)19-22-5-2-1-3-6-22/h1-11,17,23H,12-16,18-21H2,(H,28,30)/p+1