N-(4-bromanyl-3-methyl-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propionamide Formula: C19H22BrN2O+ MolecularWeight: 374.29478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCC3=CC=CC=C3C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CC[NH+]2CCC3=CC=CC=C3C2)Br

InChI

InChI=1S/C19H21BrN2O/c1-14-12-17(6-7-18(14)20)21-19(23)9-11-22-10-8-15-4-2-3-5-16(15)13-22/h2-7,12H,8-11,13H2,1H3,(H,21,23)/p+1