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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O/c1-2-24-13-15-25(16-14-24)20-10-8-19(9-11-20)23-21(26)12-5-17-3-6-18(22)7-4-17/h3-12H,2,13-16H2,1H3,(H,23,26)/p+1/b12-5+