(E)-3-(3-bromanyl-4-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-bromanyl-4-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(3-bromo-4-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one CAS Name: (E)-3-(3-bromo-4-methoxyphenyl)-1-(4-methyl-1-piperazin-4-iumyl)-2-propen-1-one IUPAC Name: (E)-3-(3-bromo-4-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(3-bromo-4-methoxy-phenyl)-1-(4-methylpiperazin-4-ium-1-yl)prop-2-en-1-one Formula: C15H20BrN2O2+ MolecularWeight: 340.2355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O2/c1-17-7-9-18(10-8-17)15(19)6-4-12-3-5-14(20-2)13(16)11-12/h3-6,11H,7-10H2,1-2H3/p+1/b6-4+