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

Systemtic Name: 4-[4-oxidanylidene-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butyl]-1,4-benzoxazin-3-one Openeye Name: 4-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 4-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]butyl]-1,4-benzoxazin-3-one IUPAC Name: 4-[4-oxo-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]butyl]-1,4-benzoxazin-3-one Traditional Name: 4-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-4-keto-butyl]-1,4-benzoxazin-3-one Formula: C25H30N3O3+ MolecularWeight: 420.524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)CCCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)CCCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C25H29N3O3/c29-24(13-7-15-28-22-11-4-5-12-23(22)31-20-25(28)30)27-18-16-26(17-19-27)14-6-10-21-8-2-1-3-9-21/h1-6,8-12H,7,13-20H2/p+1/b10-6+