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

Systemtic Name: (E)-N-[5-chloranyl-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[5-chloro-2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)acrylamide Formula: C22H27ClN3O2+ MolecularWeight: 400.92168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O2/c1-3-25-11-13-26(14-12-25)21-9-8-18(23)16-20(21)24-22(27)10-7-17-5-4-6-19(15-17)28-2/h4-10,15-16H,3,11-14H2,1-2H3,(H,24,27)/p+1/b10-7+