N-[4-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylanilino]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-anilino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H31N4O2S+ MolecularWeight: 415.57214

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O2S/c1-3-25-10-12-26(13-11-25)19-6-7-20(17(2)15-19)24-21(27)5-4-9-23-22(28)18-8-14-29-16-18/h6-8,14-16H,3-5,9-13H2,1-2H3,(H,23,28)(H,24,27)/p+1