3-[3-(azepan-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-(azepan-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-(azepan-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-(azepan-1-ium-1-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-1H-quinazoline-2,4-quinone Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=O

Isomeric SMILES

C1CCC[NH+](CC1)CCCN2C(=O)C3=CC=CC=C3NC2=O

InChI

InChI=1S/C17H23N3O2/c21-16-14-8-3-4-9-15(14)18-17(22)20(16)13-7-12-19-10-5-1-2-6-11-19/h3-4,8-9H,1-2,5-7,10-13H2,(H,18,22)/p+1