(3S)-2-[(2-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-2-[(2-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-2-[(2-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-2-[(2-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-2-[(2-bromophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-2-(2-bromobenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H18BrN2O+ MolecularWeight: 346.24162

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC3=CC=CC=C3Br)C(=O)N

Isomeric SMILES

C1[C@H]([NH+](CC2=CC=CC=C21)CC3=CC=CC=C3Br)C(=O)N

InChI

InChI=1S/C17H17BrN2O/c18-15-8-4-3-7-14(15)11-20-10-13-6-2-1-5-12(13)9-16(20)17(19)21/h1-8,16H,9-11H2,(H2,19,21)/p+1/t16-/m0/s1