1-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]quinazoline-2,4-dione

Systemtic Name: 1-[3-oxidanylidene-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]quinazoline-2,4-dione Openeye Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-oxo-propyl]quinazoline-2,4-dione CAS Name: 1-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]propyl]quinazoline-2,4-dione IUPAC Name: 1-[3-oxo-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propyl]quinazoline-2,4-dione Traditional Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-keto-propyl]quinazoline-2,4-quinone Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCN3C4=CC=CC=C4C(=O)NC3=O

InChI

InChI=1S/C24H26N4O3/c29-22(12-14-28-21-11-5-4-10-20(21)23(30)25-24(28)31)27-17-15-26(16-18-27)13-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2,(H,25,30,31)/p+1/b9-6+