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

Systemtic Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Openeye Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide CAS Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]prop-2-enamide Traditional Name: (E)-3-(3-methoxyphenyl)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acrylamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-23-12-14-24(15-13-23)20-9-4-3-8-19(20)22-21(25)11-10-17-6-5-7-18(16-17)26-2/h3-11,16H,12-15H2,1-2H3,(H,22,25)/p+1/b11-10+