N-[4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[2-(4-ethyl-1-piperazin-4-iumyl)anilino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[2-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-keto-butyl]thiophene-2-carboxamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H28N4O2S/c1-2-24-12-14-25(15-13-24)18-8-4-3-7-17(18)23-20(26)10-5-11-22-21(27)19-9-6-16-28-19/h3-4,6-9,16H,2,5,10-15H2,1H3,(H,22,27)(H,23,26)/p+1