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

Systemtic Name: 6-[(3-fluorophenyl)carbonyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[(3-fluorobenzoyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[[(3-fluorophenyl)-oxomethyl]-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[(3-fluorobenzoyl)-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[(3-fluorobenzoyl)-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]amino]hexylammonium Formula: C23H28FN4O2+ MolecularWeight: 411.492423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCC[NH3+])C(=O)C3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCC[NH3+])C(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C23H27FN4O2/c1-16(21-26-20-12-5-4-11-19(20)22(29)27-21)28(14-7-3-2-6-13-25)23(30)17-9-8-10-18(24)15-17/h4-5,8-12,15-16H,2-3,6-7,13-14,25H2,1H3,(H,26,27,29)/p+1/t16-/m1/s1