(2R)-N-(4-bromophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: (2R)-N-(4-bromophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: (2R)-N-(4-bromophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: (2R)-N-(4-bromophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: (2R)-N-(4-bromophenyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: (2R)-N-(4-bromophenyl)-2-(5,6,7,8-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=C(C=C1)Br)[N+]2=CC3=C(CCCC3)C=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)Br)[N+]2=CC3=C(CCCC3)C=C2

InChI

InChI=1S/C18H19BrN2O/c1-13(18(22)20-17-8-6-16(19)7-9-17)21-11-10-14-4-2-3-5-15(14)12-21/h6-13H,2-5H2,1H3/p+1/t13-/m1/s1