(3S)-N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-m-anisyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CNC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

COC1=CC=CC(=C1)CNC(=O)[C@@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C18H20N2O2/c1-22-16-8-4-5-13(9-16)11-20-18(21)17-10-14-6-2-3-7-15(14)12-19-17/h2-9,17,19H,10-12H2,1H3,(H,20,21)/p+1/t17-/m0/s1