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

Systemtic Name: (3S)-N-(2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-(2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-(2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-(2,3-dimethylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-(2,3-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=C(C(=CC=C1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2)C

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O/c1-12-6-5-9-16(13(12)2)20-18(21)17-10-14-7-3-4-8-15(14)11-19-17/h3-9,17,19H,10-11H2,1-2H3,(H,20,21)/p+1/t17-/m0/s1