ethyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[(2-methoxycarbonyl-3-thienyl)amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[(2-methoxycarbonyl-3-thiophenyl)amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(2-carbomethoxy-3-thienyl)amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H22N3O5S+ MolecularWeight: 356.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C15H21N3O5S/c1-3-23-15(21)18-7-5-17(6-8-18)10-12(19)16-11-4-9-24-13(11)14(20)22-2/h4,9H,3,5-8,10H2,1-2H3,(H,16,19)/p+1