(3R)-N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O/c1-12-7-8-13(2)16(9-12)20-18(21)17-10-14-5-3-4-6-15(14)11-19-17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)/p+1/t17-/m1/s1