2,6-dimethyl-4-[2-(4-nitrophenyl)quinazolin-4-yl]morpholin-4-ium chloride

Systemtic Name: 2,6-dimethyl-4-[2-(4-nitrophenyl)quinazolin-4-yl]morpholin-4-ium chloride Openeye Name: 2,6-dimethyl-4-[2-(4-nitrophenyl)quinazolin-4-yl]morpholin-4-ium chloride CAS Name: 2,6-dimethyl-4-[2-(4-nitrophenyl)-4-quinazolinyl]morpholin-4-ium chloride IUPAC Name: 2,6-dimethyl-4-[2-(4-nitrophenyl)quinazolin-4-yl]morpholin-4-ium chloride Traditional Name: 2,6-dimethyl-4-[2-(4-nitrophenyl)quinazolin-4-yl]morpholin-4-ium chloride Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

CC1C[NH+](CC(O1)C)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C20H20N4O3.ClH/c1-13-11-23(12-14(2)27-13)20-17-5-3-4-6-18(17)21-19(22-20)15-7-9-16(10-8-15)24(25)26;/h3-10,13-14H,11-12H2,1-2H3;1H