N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-2,5-dimethyl-3-thiophenecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-2,5-dimethylthiophene-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-2,5-dimethyl-thiophene-3-carboxamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3OS/c1-5-22-8-10-23(11-9-22)19-7-6-17(12-14(19)2)21-20(24)18-13-15(3)25-16(18)4/h6-7,12-13H,5,8-11H2,1-4H3,(H,21,24)/p+1