(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C20H22N3O3+ MolecularWeight: 352.40698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O3/c24-20(4-2-16-1-3-18-19(15-16)26-14-13-25-18)23-11-9-22(10-12-23)17-5-7-21-8-6-17/h1-8,15H,9-14H2/p+1/b4-2+