(E)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(5-phenylthiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(5-phenylthiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(5-phenyl-2-thienyl)prop-2-enamide CAS Name: (E)-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]-3-(5-phenyl-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(5-phenylthiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]-3-(5-phenyl-2-thienyl)acrylamide Formula: C23H26N4OS+2 MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)NC(=O)C=CC3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=[NH+]C=C(C=C2)NC(=O)/C=C/C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-26-13-15-27(16-14-26)22-11-7-19(17-24-22)25-23(28)12-9-20-8-10-21(29-20)18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,25,28)/p+2/b12-9+