(3R)-2-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[(4-tert-butylphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-(4-tert-butylbenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)N

InChI

InChI=1S/C21H26N2O/c1-21(2,3)18-10-8-15(9-11-18)13-23-14-17-7-5-4-6-16(17)12-19(23)20(22)24/h4-11,19H,12-14H2,1-3H3,(H2,22,24)/p+1/t19-/m1/s1