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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3OS/c1-21-10-12-22(13-11-21)15-4-2-14(3-5-15)20-18(23)9-7-16-6-8-17(19)24-16/h2-9H,10-13H2,1H3,(H,20,23)/p+1/b9-7+