cyclohexyl-methyl-[2-(4-nitrophenyl)quinazolin-4-yl]azanium chloride

Systemtic Name: cyclohexyl-methyl-[2-(4-nitrophenyl)quinazolin-4-yl]azanium chloride Openeye Name: cyclohexyl-methyl-[2-(4-nitrophenyl)quinazolin-4-yl]ammonium chloride CAS Name: cyclohexyl-methyl-[2-(4-nitrophenyl)-4-quinazolinyl]ammonium chloride IUPAC Name: cyclohexyl-methyl-[2-(4-nitrophenyl)quinazolin-4-yl]azanium chloride Traditional Name: cyclohexyl-methyl-[2-(4-nitrophenyl)quinazolin-4-yl]ammonium chloride Formula: C21H23ClN4O2 MolecularWeight: 398.88592

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C1CCCCC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[NH+](C1CCCCC1)C2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C21H22N4O2.ClH/c1-24(16-7-3-2-4-8-16)21-18-9-5-6-10-19(18)22-20(23-21)15-11-13-17(14-12-15)25(26)27;/h5-6,9-14,16H,2-4,7-8H2,1H3;1H