2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-(4-ethyl-1-piperazin-4-iumyl)-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-(4-ethylpiperazin-4-ium-1-yl)-3-keto-propyl]-1H-quinazolin-4-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C17H22N4O2/c1-2-20-9-11-21(12-10-20)16(22)8-7-15-18-14-6-4-3-5-13(14)17(23)19-15/h3-6H,2,7-12H2,1H3,(H,18,19,23)/p+1