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

Systemtic Name: (3S)-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-(4-isopropylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-(4-propan-2-ylphenyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-p-cumenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H23N2O+ MolecularWeight: 295.39872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O/c1-13(2)14-7-9-17(10-8-14)21-19(22)18-11-15-5-3-4-6-16(15)12-20-18/h3-10,13,18,20H,11-12H2,1-2H3,(H,21,22)/p+1/t18-/m0/s1