(E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C16H21ClN3O3+ MolecularWeight: 338.80924

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C16H20ClN3O3/c1-19-4-6-20(7-5-19)18-15(21)3-2-12-10-13(17)16-14(11-12)22-8-9-23-16/h2-3,10-11H,4-9H2,1H3,(H,18,21)/p+1/b3-2+