5-bromanyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]thiophene-2-carboxamide

Systemtic Name: 5-bromanyl-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]thiophene-2-carboxamide Openeye Name: 5-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]thiophene-2-carboxamide CAS Name: 5-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-2-thiophenecarboxamide IUPAC Name: 5-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]thiophene-2-carboxamide Traditional Name: 5-bromo-N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]thiophene-2-carboxamide Formula: C17H20BrN2OS+ MolecularWeight: 380.3225

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC=C(S1)Br)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](CNC(=O)C1=CC=C(S1)Br)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C17H19BrN2OS/c1-12(10-19-17(21)15-6-7-16(18)22-15)20-9-8-13-4-2-3-5-14(13)11-20/h2-7,12H,8-11H2,1H3,(H,19,21)/p+1/t12-/m1/s1