(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(2-methylanilino)-2-oxo-ethyl]-propyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(2-methylanilino)-2-oxoethyl]-propylazanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[2-keto-2-(o-toluidino)ethyl]-propyl-ammonium Formula: C21H24ClN4O2+ MolecularWeight: 399.89386

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3C

Isomeric SMILES

CCC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C21H23ClN4O2/c1-3-10-26(13-20(27)24-17-7-5-4-6-14(17)2)12-19-23-18-11-15(22)8-9-16(18)21(28)25-19/h4-9,11H,3,10,12-13H2,1-2H3,(H,24,27)(H,23,25,28)/p+1