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

Systemtic Name: (E)-N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-3-yl-prop-2-enamide Openeye Name: (E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-thienyl)prop-2-enamide CAS Name: (E)-N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(3-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-thiophen-3-ylprop-2-enamide Traditional Name: (E)-N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(3-thienyl)acrylamide Formula: C18H21ClN3OS+ MolecularWeight: 362.89684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3OS/c1-21-7-9-22(10-8-21)17-4-3-15(19)12-16(17)20-18(23)5-2-14-6-11-24-13-14/h2-6,11-13H,7-10H2,1H3,(H,20,23)/p+1/b5-2+