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

Systemtic Name: (3R)-2-(2-oxidanylidene-2-phenylazanyl-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-(2-anilino-2-oxo-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-(2-anilino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-(2-anilino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-(2-anilino-2-keto-ethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H20N3O2+ MolecularWeight: 310.3703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2/c19-18(23)16-10-13-6-4-5-7-14(13)11-21(16)12-17(22)20-15-8-2-1-3-9-15/h1-9,16H,10-12H2,(H2,19,23)(H,20,22)/p+1/t16-/m1/s1