N-[4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-4-keto-butyl]thiophene-3-carboxamide Formula: C21H29N4O2S+ MolecularWeight: 401.54556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O2S/c1-2-24-11-13-25(14-12-24)19-7-5-18(6-8-19)23-20(26)4-3-10-22-21(27)17-9-15-28-16-17/h5-9,15-16H,2-4,10-14H2,1H3,(H,22,27)(H,23,26)/p+1