2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone Formula: C22H25N2O3+ MolecularWeight: 365.4455

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H24N2O3/c25-22(19-8-9-20-21(17-19)27-16-15-26-20)24-13-11-23(12-14-24)10-4-7-18-5-2-1-3-6-18/h1-9,17H,10-16H2/p+1/b7-4+