2-chloranyl-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: 2-chloro-N-(2-tetrahydrothiopyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)benzamide CAS Name: 2-chloro-N-[2-(4-thianyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide IUPAC Name: 2-chloro-N-[2-(thian-4-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: 2-chloro-N-(2-tetrahydrothiopyran-4-yl-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl)benzamide Formula: C21H24ClN2OS+ MolecularWeight: 387.94606

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCC1[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1CSCCC1[NH+]2CCC3=C(C2)C=C(C=C3)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H23ClN2OS/c22-20-4-2-1-3-19(20)21(25)23-17-6-5-15-7-10-24(14-16(15)13-17)18-8-11-26-12-9-18/h1-6,13,18H,7-12,14H2,(H,23,25)/p+1