N-[2-chloranyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenyl]thiophene-2-carboxamide

Systemtic Name: N-[2-chloranyl-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonyl-phenyl]thiophene-2-carboxamide Openeye Name: N-[2-chloro-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide CAS Name: N-[2-chloro-5-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]-2-thiophenecarboxamide IUPAC Name: N-[2-chloro-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Traditional Name: N-[2-chloro-5-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]thiophene-2-carboxamide Formula: C25H25ClN3O2S+ MolecularWeight: 467.0029

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H24ClN3O2S/c26-21-11-10-20(18-22(21)27-24(30)23-9-5-17-32-23)25(31)29-15-13-28(14-16-29)12-4-8-19-6-2-1-3-7-19/h1-11,17-18H,12-16H2,(H,27,30)/p+1/b8-4+