N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-4-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)benzamide Formula: C24H27N2O2S+ MolecularWeight: 407.54838

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CO4

InChI

InChI=1S/C24H26N2O2S/c27-24(25-12-15-29-18-23-6-3-14-28-23)21-9-7-19(8-10-21)16-26-13-11-20-4-1-2-5-22(20)17-26/h1-10,14H,11-13,15-18H2,(H,25,27)/p+1