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

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-5-(4-fluorophenyl)-2-thiophenecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-5-(4-fluorophenyl)thiophene-2-carboxamide Formula: C24H27FN3OS+ MolecularWeight: 424.554083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26FN3OS/c1-3-27-12-14-28(15-13-27)20-8-9-21(17(2)16-20)26-24(29)23-11-10-22(30-23)18-4-6-19(25)7-5-18/h4-11,16H,3,12-15H2,1-2H3,(H,26,29)/p+1