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

Systemtic Name: (3S)-2-[(3-chloranyl-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(3-chlorobenzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(3-chloro-1-benzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-[(3-chlorobenzothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H18ClN2OS+ MolecularWeight: 357.87702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=C(C4=CC=CC=C4S3)Cl)C(=O)N

InChI

InChI=1S/C19H17ClN2OS/c20-18-14-7-3-4-8-16(14)24-17(18)11-22-10-13-6-2-1-5-12(13)9-15(22)19(21)23/h1-8,15H,9-11H2,(H2,21,23)/p+1/t15-/m0/s1