3-chloranyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]benzothiophene-2-carboxamide Formula: C20H20ClN2OS+ MolecularWeight: 371.9036

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CCNC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H19ClN2OS/c21-18-16-7-3-4-8-17(16)25-19(18)20(24)22-10-12-23-11-9-14-5-1-2-6-15(14)13-23/h1-8H,9-13H2,(H,22,24)/p+1