(3R)-N-(5-chloranyl-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(5-chloranyl-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(5-chloro-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(5-chloro-2-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(5-chloro-2-methyl-phenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H18ClN2O+ MolecularWeight: 301.79062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C17H17ClN2O/c1-11-6-7-14(18)9-15(11)20-17(21)16-8-12-4-2-3-5-13(12)10-19-16/h2-7,9,16,19H,8,10H2,1H3,(H,20,21)/p+1/t16-/m1/s1