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

Systemtic Name: methyl-[2-oxidanylidene-2-[(4-oxidanylidene-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenyl-azanium trichloride Openeye Name: methyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenyl-ammonium trichloride CAS Name: methyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenylammonium trichloride IUPAC Name: methyl-[2-oxo-2-[(4-oxo-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-phenylazanium trichloride Traditional Name: [2-keto-2-[(4-keto-3H-quinazoline-1,3-diium-3-yl)methylamino]ethyl]-methyl-phenyl-ammonium trichloride Formula: C18H21Cl3N4O2 MolecularWeight: 431.74394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O2.3ClH/c1-21(14-7-3-2-4-8-14)11-17(23)20-13-22-12-19-16-10-6-5-9-15(16)18(22)24;;;/h2-10,12H,11,13H2,1H3,(H,20,23);3*1H