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

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acrylamide Formula: C21H25ClN3O+ MolecularWeight: 370.8957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O/c22-19-9-6-18(7-10-19)8-11-21(26)23-12-13-24-14-16-25(17-15-24)20-4-2-1-3-5-20/h1-11H,12-17H2,(H,23,26)/p+1/b11-8+