(3R)-2-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-oxidanylidene-2-(quinolin-5-ylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-oxo-2-(5-quinolylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-oxo-2-(5-quinolinylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-oxo-2-(quinolin-5-ylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-(5-quinolylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C21H21N4O2+ MolecularWeight: 361.41704

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=C3C=CC=N4)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=C3C=CC=N4)C(=O)N

InChI

InChI=1S/C21H20N4O2/c22-21(27)19-11-14-5-1-2-6-15(14)12-25(19)13-20(26)24-18-9-3-8-17-16(18)7-4-10-23-17/h1-10,19H,11-13H2,(H2,22,27)(H,24,26)/p+1/t19-/m1/s1