N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-(1-pyrrolidin-1-iumylmethyl)benzamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-4-(pyrrolidin-1-ium-1-ylmethyl)benzamide Formula: C19H25N2O2S+ MolecularWeight: 345.479

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C19H24N2O2S/c22-19(20-9-13-24-15-18-4-3-12-23-18)17-7-5-16(6-8-17)14-21-10-1-2-11-21/h3-8,12H,1-2,9-11,13-15H2,(H,20,22)/p+1