ethyl 2-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-4-ium-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-(cyclopropylamino)-2-oxoethyl]-1-piperazin-4-iumyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-4-ium-1-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[2-(cyclopropylamino)-2-keto-ethyl]piperazin-4-ium-1-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H31N4O4S+ MolecularWeight: 423.54954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CC[NH+](CC2)CC(=O)NC3CC3)C(=O)OCC

InChI

InChI=1S/C20H30N4O4S/c1-3-15-11-16(20(27)28-4-2)19(29-15)22-18(26)13-24-9-7-23(8-10-24)12-17(25)21-14-5-6-14/h11,14H,3-10,12-13H2,1-2H3,(H,21,25)(H,22,26)/p+1