butyl-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium

Systemtic Name: butyl-[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]azanium Openeye Name: butyl-[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium CAS Name: butyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]ammonium IUPAC Name: butyl-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-[(4-oxo-1H-quinazolin-2-yl)methyl]azanium Traditional Name: butyl-[2-(4-chloro-2-methyl-anilino)-2-keto-ethyl]-[(4-keto-1H-quinazolin-2-yl)methyl]ammonium Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=C(C=C3)Cl)C

Isomeric SMILES

CCCC[NH+](CC1=NC(=O)C2=CC=CC=C2N1)CC(=O)NC3=C(C=C(C=C3)Cl)C

InChI

InChI=1S/C22H25ClN4O2/c1-3-4-11-27(14-21(28)25-18-10-9-16(23)12-15(18)2)13-20-24-19-8-6-5-7-17(19)22(29)26-20/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,25,28)(H,24,26,29)/p+1