6-[3,3-dimethylbutanoyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium

Systemtic Name: 6-[3,3-dimethylbutanoyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[3,3-dimethylbutanoyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[(3,3-dimethyl-1-oxobutyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[3,3-dimethylbutanoyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[3,3-dimethylbutanoyl-[(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:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-16(20-24-18-12-8-7-11-17(18)21(28)25-20)26(14-10-6-5-9-13-23)19(27)15-22(2,3)4/h7-8,11-12,16H,5-6,9-10,13-15,23H2,1-4H3,(H,24,25,28)/p+1/t16-/m1/s1