(E)-3-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(4-bromophenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(4-bromophenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C14H18BrN2O+ MolecularWeight: 310.20952

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H17BrN2O/c1-16-8-10-17(11-9-16)14(18)7-4-12-2-5-13(15)6-3-12/h2-7H,8-11H2,1H3/p+1/b7-4+