(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-azanium Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-ammonium CAS Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylammonium IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylazanium Traditional Name: (7-chloro-4-keto-1H-quinazolin-2-yl)methyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-ammonium Formula: C21H22ClN4O4+ MolecularWeight: 429.87678

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC[NH+](CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21ClN4O4/c1-2-26(11-19-24-16-9-13(22)3-5-15(16)21(28)25-19)12-20(27)23-14-4-6-17-18(10-14)30-8-7-29-17/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,23,27)(H,24,25,28)/p+1