5-[[4-[(1,2-dimethyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[[4-[(1,2-dimethyl-3-oxidanylidene-4H-quinazolin-3-ium-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Openeye Name: 5-[[4-[(1,2-dimethyl-3-oxo-4H-quinazolin-3-ium-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione CAS Name: 5-[[4-[(1,2-dimethyl-3-oxo-4H-quinazolin-3-ium-2-yl)methoxy]phenyl]methyl]thiazolidine-2,4-dione IUPAC Name: 5-[[4-[(1,2-dimethyl-3-oxo-4H-quinazolin-3-ium-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione Traditional Name: 5-[4-[(3-keto-1,2-dimethyl-4H-quinazolin-3-ium-2-yl)methoxy]benzyl]thiazolidine-2,4-quinone Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C2=CC=CC=C2C[N+]1=O)C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4

Isomeric SMILES

CC1(N(C2=CC=CC=C2C[N+]1=O)C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4

InChI

InChI=1S/C21H21N3O4S/c1-21(23(2)17-6-4-3-5-15(17)12-24(21)27)13-28-16-9-7-14(8-10-16)11-18-19(25)22-20(26)29-18/h3-10,18H,11-13H2,1-2H3/p+1