6-[(4-ethoxy-4-oxidanylidene-butanoyl)-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium

Systemtic Name: 6-[(4-ethoxy-4-oxidanylidene-butanoyl)-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[(4-ethoxy-4-oxo-butanoyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[(4-ethoxy-1,4-dioxobutyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[(4-ethoxy-4-oxobutanoyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[(4-ethoxy-4-keto-butanoyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]amino]hexylammonium Formula: C22H33N4O4+ MolecularWeight: 417.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N(CCCCCC[NH3+])C(C)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CCC(=O)N(CCCCCC[NH3+])[C@H](C)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C22H32N4O4/c1-3-30-20(28)13-12-19(27)26(15-9-5-4-8-14-23)16(2)21-24-18-11-7-6-10-17(18)22(29)25-21/h6-7,10-11,16H,3-5,8-9,12-15,23H2,1-2H3,(H,24,25,29)/p+1/t16-/m1/s1