(E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methyl-1-piperazin-4-iumyl)-2-propenamide IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-N-(4-methylpiperazin-4-ium-1-yl)prop-2-enamide Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-N-(4-methylpiperazin-4-ium-1-yl)acrylamide Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3O2/c1-18-7-9-19(10-8-18)17-15(20)6-3-12-11-13(16)4-5-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,17,20)/p+1/b6-3+