(4-tert-butylphenyl)methyl-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium

Systemtic Name: (4-tert-butylphenyl)methyl-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-methyl-azanium Openeye Name: (4-tert-butylphenyl)methyl-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-methyl-ammonium CAS Name: (4-tert-butylphenyl)methyl-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-methylammonium IUPAC Name: (4-tert-butylphenyl)methyl-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-methylazanium Traditional Name: (4-tert-butylbenzyl)-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-methyl-ammonium Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[NH+](C)CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C21H24ClN3O/c1-21(2,3)15-7-5-14(6-8-15)12-25(4)13-19-23-18-11-16(22)9-10-17(18)20(26)24-19/h5-11H,12-13H2,1-4H3,(H,23,24,26)/p+1