5,5-dimethyl-2-(piperazin-4-ium-1-ylcarbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate

Systemtic Name: 5,5-dimethyl-2-(piperazin-4-ium-1-ylcarbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Openeye Name: 5,5-dimethyl-2-(piperazin-4-ium-1-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate CAS Name: 5,5-dimethyl-2-[[oxo(1-piperazin-4-iumyl)methyl]amino]-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate IUPAC Name: 5,5-dimethyl-2-(piperazin-4-ium-1-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Traditional Name: 5,5-dimethyl-2-(piperazin-4-ium-1-carbonylamino)-4,7-dihydrothieno[2,3-c]pyran-3-carboxylate Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)SC(=C2C(=O)[O-])NC(=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1(CC2=C(CO1)SC(=C2C(=O)[O-])NC(=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C15H21N3O4S/c1-15(2)7-9-10(8-22-15)23-12(11(9)13(19)20)17-14(21)18-5-3-16-4-6-18/h16H,3-8H2,1-2H3,(H,17,21)(H,19,20)