4-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,4-benzoxazin-3-one CAS Name: 4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]ethyl]-1,4-benzoxazin-3-one Traditional Name: 4-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-2-keto-ethyl]-1,4-benzoxazin-3-one Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C23H25N3O3/c27-22(17-26-20-10-4-5-11-21(20)29-18-23(26)28)25-15-13-24(14-16-25)12-6-9-19-7-2-1-3-8-19/h1-11H,12-18H2/p+1/b9-6+