methyl 2-[(4-ethylpiperazin-4-ium-1-yl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: methyl 2-[(4-ethylpiperazin-4-ium-1-yl)carbonylamino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: methyl 2-[(4-ethylpiperazin-4-ium-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 2-[[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-ethylpiperazin-4-ium-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-carbonyl)amino]-5,5-dimethyl-4,7-dihydrothieno[2,3-c]pyran-3-carboxylic acid methyl ester Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)OC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)NC2=C(C3=C(S2)COC(C3)(C)C)C(=O)OC

InChI

InChI=1S/C18H27N3O4S/c1-5-20-6-8-21(9-7-20)17(23)19-15-14(16(22)24-4)12-10-18(2,3)25-11-13(12)26-15/h5-11H2,1-4H3,(H,19,23)/p+1