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

Systemtic Name: (3R)-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-N-(1,1-dimethylpropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-N-tert-amyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1CC2=CC=CC=C2C[NH2+]1

Isomeric SMILES

CCC(C)(C)NC(=O)[C@H]1CC2=CC=CC=C2C[NH2+]1

InChI

InChI=1S/C15H22N2O/c1-4-15(2,3)17-14(18)13-9-11-7-5-6-8-12(11)10-16-13/h5-8,13,16H,4,9-10H2,1-3H3,(H,17,18)/p+1/t13-/m1/s1