(E)-3-(3-bromophenyl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromophenyl)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-bromophenyl)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C20H22BrClN3O+ MolecularWeight: 435.76518

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H21BrClN3O/c1-24-9-11-25(12-10-24)19-7-6-17(22)14-18(19)23-20(26)8-5-15-3-2-4-16(21)13-15/h2-8,13-14H,9-12H2,1H3,(H,23,26)/p+1/b8-5+