2-[6-[7-methoxycarbonyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]hexanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[6-[7-methoxycarbonyl-2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]hexanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[6-(7-methoxycarbonyl-2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[6-(7-methoxycarbonyl-2,4-dioxo-1H-quinazolin-3-yl)-1-oxohexyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[6-(7-methoxycarbonyl-2,4-dioxo-1H-quinazolin-3-yl)hexanoylamino]ethyl-dimethylazanium Traditional Name: 2-[6-(7-carbomethoxy-2,4-diketo-1H-quinazolin-3-yl)hexanoylamino]ethyl-dimethyl-ammonium Formula: C20H29N4O5+ MolecularWeight: 405.46806

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O

Isomeric SMILES

C[NH+](C)CCNC(=O)CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=O

InChI

InChI=1S/C20H28N4O5/c1-23(2)12-10-21-17(25)7-5-4-6-11-24-18(26)15-9-8-14(19(27)29-3)13-16(15)22-20(24)28/h8-9,13H,4-7,10-12H2,1-3H3,(H,21,25)(H,22,28)/p+1