(2R)-N-(3-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(3-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(3-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(3-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(3-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(3-bromophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C18H20BrN2O+ MolecularWeight: 360.2682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Br)[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H19BrN2O/c1-13(18(22)20-17-8-4-7-16(19)11-17)21-10-9-14-5-2-3-6-15(14)12-21/h2-8,11,13H,9-10,12H2,1H3,(H,20,22)/p+1/t13-/m1/s1