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

Systemtic Name: 6-[hexanoyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[hexanoyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[1-oxohexyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[hexanoyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[caproyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]amino]hexylammonium Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-3-4-7-14-20(27)26(16-11-6-5-10-15-23)17(2)21-24-19-13-9-8-12-18(19)22(28)25-21/h8-9,12-13,17H,3-7,10-11,14-16,23H2,1-2H3,(H,24,25,28)/p+1/t17-/m1/s1