ethyl 2-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3

InChI

InChI=1S/C18H26N4O4S/c1-2-26-18(25)14-5-10-27-17(14)20-16(24)12-22-8-6-21(7-9-22)11-15(23)19-13-3-4-13/h5,10,13H,2-4,6-9,11-12H2,1H3,(H,19,23)(H,20,24)/p+1