3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1H-quinazoline-2,4-dione CAS Name: 3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)butyl]-1H-quinazoline-2,4-quinone Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C(=O)C2=CC=CC=C2NC1=O)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC[C@H](CN1C(=O)C2=CC=CC=C2NC1=O)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H23N3O2/c1-2-17(23-12-11-15-7-3-4-8-16(15)13-23)14-24-20(25)18-9-5-6-10-19(18)22-21(24)26/h3-10,17H,2,11-14H2,1H3,(H,22,26)/p+1/t17-/m1/s1