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

Systemtic Name: (E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(7-chloro-1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C15H19ClN3O3+ MolecularWeight: 324.78266

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C15H18ClN3O3/c1-18-4-6-19(7-5-18)17-14(20)3-2-11-8-12(16)15-13(9-11)21-10-22-15/h2-3,8-9H,4-7,10H2,1H3,(H,17,20)/p+1/b3-2+