ethyl 2-[(4-ethylpiperazin-4-ium-1-yl)carbonylamino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-3-carboxylate

Systemtic Name: ethyl 2-[(4-ethylpiperazin-4-ium-1-yl)carbonylamino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-3-carboxylate Openeye Name: ethyl 2-[(4-ethylpiperazin-4-ium-1-carbonyl)amino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-3-carboxylate CAS Name: 2-[[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]amino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethylpiperazin-4-ium-1-carbonyl)amino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-3-carboxylate Traditional Name: 2-[(4-ethylpiperazin-4-ium-1-carbonyl)amino]-6,6-dimethyl-4,7-dihydrothieno[3,2-c]pyran-3-carboxylic acid ethyl ester Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)NC2=C(C3=C(S2)CC(OC3)(C)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)NC2=C(C3=C(S2)CC(OC3)(C)C)C(=O)OCC

InChI

InChI=1S/C19H29N3O4S/c1-5-21-7-9-22(10-8-21)18(24)20-16-15(17(23)25-6-2)13-12-26-19(3,4)11-14(13)27-16/h5-12H2,1-4H3,(H,20,24)/p+1