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

Systemtic Name: 6-[heptanoyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Openeye Name: 6-[heptanoyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium CAS Name: 6-[1-oxoheptyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylammonium IUPAC Name: 6-[heptanoyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]amino]hexylazanium Traditional Name: 6-[enanthyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]amino]hexylammonium Formula: C23H37N4O2+ MolecularWeight: 401.56548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36N4O2/c1-3-4-5-8-15-21(28)27(17-12-7-6-11-16-24)18(2)22-25-20-14-10-9-13-19(20)23(29)26-22/h9-10,13-14,18H,3-8,11-12,15-17,24H2,1-2H3,(H,25,26,29)/p+1/t18-/m1/s1