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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC(OC2)(C)C)NC(=O)N3CC[NH+](CC3)C

InChI

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