(E)-3-(2-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(2-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(2-bromophenyl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(2-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(2-bromophenyl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C14H19BrN3O+ MolecularWeight: 325.22416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)C=CC2=CC=CC=C2Br

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)/C=C/C2=CC=CC=C2Br

InChI

InChI=1S/C14H18BrN3O/c1-17-8-10-18(11-9-17)16-14(19)7-6-12-4-2-3-5-13(12)15/h2-7H,8-11H2,1H3,(H,16,19)/p+1/b7-6+