(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C20H21ClN3O3+ MolecularWeight: 386.85204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3/c21-17-13-15(14-18-20(17)27-12-11-26-18)1-2-19(25)24-9-7-23(8-10-24)16-3-5-22-6-4-16/h1-6,13-14H,7-12H2/p+1/b2-1+