(E)-3-(3-bromophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide

Systemtic Name: (E)-3-(3-bromophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(3-bromophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acrylamide Formula: C21H25BrN3O+ MolecularWeight: 415.3467

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)C=CC2=CC(=CC=C2)Br)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)/C=C/C2=CC(=CC=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O/c22-19-6-4-5-18(17-19)9-10-21(26)23-11-12-24-13-15-25(16-14-24)20-7-2-1-3-8-20/h1-10,17H,11-16H2,(H,23,26)/p+1/b10-9+