2-(2,3-dimethyl-4-oxidanylidene-1H-quinazoline-1,3-diium-1-yl)-N-phenyl-N-propan-2-yl-ethanamide bromide

Systemtic Name: 2-(2,3-dimethyl-4-oxidanylidene-1H-quinazoline-1,3-diium-1-yl)-N-phenyl-N-propan-2-yl-ethanamide bromide Openeye Name: 2-(2,3-dimethyl-4-oxo-1H-quinazoline-1,3-diium-1-yl)-N-isopropyl-N-phenyl-acetamide bromide CAS Name: 2-(2,3-dimethyl-4-oxo-1H-quinazoline-1,3-diium-1-yl)-N-phenyl-N-propan-2-ylacetamide bromide IUPAC Name: 2-(2,3-dimethyl-4-oxo-1H-quinazoline-1,3-diium-1-yl)-N-phenyl-N-propan-2-ylacetamide bromide Traditional Name: N-isopropyl-2-(4-keto-2,3-dimethyl-1H-quinazoline-1,3-diium-1-yl)-N-phenyl-acetamide bromide Formula: C21H25BrN3O2+ MolecularWeight: 431.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)N(C3=CC=CC=C3)C(C)C)C.[Br-]

Isomeric SMILES

CC1=[N+](C(=O)C2=CC=CC=C2[NH+]1CC(=O)N(C3=CC=CC=C3)C(C)C)C.[Br-]

InChI

InChI=1S/C21H24N3O2.BrH/c1-15(2)24(17-10-6-5-7-11-17)20(25)14-23-16(3)22(4)21(26)18-12-8-9-13-19(18)23;/h5-13,15H,14H2,1-4H3;1H/q+1;