2-[2-[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[2-[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[2-[4-(2-ethyl-1-oxobutyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[[2-[4-(2-ethylbutanoyl)piperazin-1-ium-1-yl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C19H31N4O3S+ MolecularWeight: 395.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)N

Isomeric SMILES

CCC(CC)C(=O)N1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C)C)C(=O)N

InChI

InChI=1S/C19H30N4O3S/c1-5-14(6-2)19(26)23-9-7-22(8-10-23)11-15(24)21-18-16(17(20)25)12(3)13(4)27-18/h14H,5-11H2,1-4H3,(H2,20,25)(H,21,24)/p+1