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

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C19H19ClN3O3+ MolecularWeight: 372.82546

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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)OCO4

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C19H18ClN3O3/c20-16-11-14(12-17-19(16)26-13-25-17)1-2-18(24)23-9-7-22(8-10-23)15-3-5-21-6-4-15/h1-6,11-12H,7-10,13H2/p+1/b2-1+