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

Systemtic Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(3-methoxyphenyl)acrylamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C=CC3=CC(=CC=C3)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)/C=C/C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N3O2/c1-3-24-13-15-25(16-14-24)21-10-5-4-9-20(21)23-22(26)12-11-18-7-6-8-19(17-18)27-2/h4-12,17H,3,13-16H2,1-2H3,(H,23,26)/p+1/b12-11+