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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H]2CC3=CC=CC=C3C[NH2+]2

InChI

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