2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3-chlorobenzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C18H17ClNS+ MolecularWeight: 314.85228

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H16ClNS/c19-18-15-7-3-4-8-16(15)21-17(18)12-20-10-9-13-5-1-2-6-14(13)11-20/h1-8H,9-12H2/p+1