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

Systemtic Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-(1-azepan-1-iumyl)ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(azepan-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCCCCC3

InChI

InChI=1S/C16H21N3O/c1-12(19-10-6-2-3-7-11-19)15-17-14-9-5-4-8-13(14)16(20)18-15/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,18,20)/p+1/t12-/m1/s1