2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-(1-azocan-1-iumyl)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(azocan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCCCCCC3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCCCCCC3

InChI

InChI=1S/C17H23N3O/c1-13(20-11-7-3-2-4-8-12-20)16-18-15-10-6-5-9-14(15)17(21)19-16/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19,21)/p+1/t13-/m1/s1