(3R)-2-(3-oxidanylidene-3-phenylazanyl-propyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-(3-oxidanylidene-3-phenylazanyl-propyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-(3-anilino-3-oxo-propyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-(3-anilino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-(3-anilino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-(3-anilino-3-keto-propyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CCC(=O)NC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C19H21N3O2/c20-19(24)17-12-14-6-4-5-7-15(14)13-22(17)11-10-18(23)21-16-8-2-1-3-9-16/h1-9,17H,10-13H2,(H2,20,24)(H,21,23)/p+1/t17-/m1/s1