ethyl-[2-oxidanylidene-2-[(4-oxidanylidene-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenyl-azanium trichloride

Systemtic Name: ethyl-[2-oxidanylidene-2-[(4-oxidanylidene-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenyl-azanium trichloride Openeye Name: ethyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenyl-ammonium trichloride CAS Name: ethyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenylammonium trichloride IUPAC Name: ethyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenylazanium trichloride Traditional Name: ethyl-[2-keto-2-[(4-keto-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenyl-ammonium trichloride Formula: C19H23Cl3N4O2 MolecularWeight: 445.77052

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NC[NH+]1C=[NH+]C2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC(=O)NC[NH+]1C=[NH+]C2=CC=CC=C2C1=O)C3=CC=CC=C3.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C19H20N4O2.3ClH/c1-2-22(15-8-4-3-5-9-15)12-18(24)21-14-23-13-20-17-11-7-6-10-16(17)19(23)25;;;/h3-11,13H,2,12,14H2,1H3,(H,21,24);3*1H