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

Systemtic Name: 6-methyl-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]-6-methyl-1,4-benzoxazin-3-one CAS Name: 6-methyl-4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]ethyl]-1,4-benzoxazin-3-one IUPAC Name: 6-methyl-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]-6-methyl-1,4-benzoxazin-3-one Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O3/c1-19-9-10-22-21(16-19)27(24(29)18-30-22)17-23(28)26-14-12-25(13-15-26)11-5-8-20-6-3-2-4-7-20/h2-10,16H,11-15,17-18H2,1H3/p+1/b8-5+