3-[(2S)-2-oxidanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(2S)-2-oxidanyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[(2S)-2-hydroxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1H-quinazoline-2,4-quinone Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(CN3C(=O)C4=CC=CC=C4NC3=O)O

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)C[C@H](CN3C(=O)C4=CC=CC=C4NC3=O)O

InChI

InChI=1S/C20H21N3O3/c24-16(12-22-10-9-14-5-1-2-6-15(14)11-22)13-23-19(25)17-7-3-4-8-18(17)21-20(23)26/h1-8,16,24H,9-13H2,(H,21,26)/p+1/t16-/m1/s1