3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(3,5-dimethylisoxazol-4-yl)propan-1-one CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-(3,5-dimethylisoxazol-4-yl)propan-1-one Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-17-20(18(2)26-22-17)10-11-21(25)24-15-13-23(14-16-24)12-6-9-19-7-4-3-5-8-19/h3-9H,10-16H2,1-2H3/p+1/b9-6+