hexyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)propyl]azanium

Systemtic Name: hexyl-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)propyl]azanium Openeye Name: hexyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)propyl]ammonium CAS Name: hexyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)propyl]ammonium IUPAC Name: hexyl-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)propyl]azanium Traditional Name: hexyl-[(1R)-1-(4-keto-1H-quinazolin-2-yl)propyl]ammonium Formula: C17H26N3O+ MolecularWeight: 288.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH2+]C(CC)C1=NC(=O)C2=CC=CC=C2N1

Isomeric SMILES

CCCCCC[NH2+][C@H](CC)C1=NC(=O)C2=CC=CC=C2N1

InChI

InChI=1S/C17H25N3O/c1-3-5-6-9-12-18-14(4-2)16-19-15-11-8-7-10-13(15)17(21)20-16/h7-8,10-11,14,18H,3-6,9,12H2,1-2H3,(H,19,20,21)/p+1/t14-/m1/s1