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

Systemtic Name: 6-[[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]-propanoyl-amino]hexylazanium Openeye Name: 6-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-propanoyl-amino]hexylammonium CAS Name: 6-[1-oxopropyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]-propanoylamino]hexylazanium Traditional Name: 6-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]-propionyl-amino]hexylammonium Formula: C19H29N4O2+ MolecularWeight: 345.45916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O2/c1-3-17(24)23(13-9-5-4-8-12-20)14(2)18-21-16-11-7-6-10-15(16)19(25)22-18/h6-7,10-11,14H,3-5,8-9,12-13,20H2,1-2H3,(H,21,22,25)/p+1/t14-/m1/s1