methyl 2-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H27N2O5S+ MolecularWeight: 383.48238

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCC3(CC2)OCCO3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)C[NH+]2CCC3(CC2)OCCO3)C

InChI

InChI=1S/C18H26N2O5S/c1-4-13-12(2)26-16(15(13)17(22)23-3)19-14(21)11-20-7-5-18(6-8-20)24-9-10-25-18/h4-11H2,1-3H3,(H,19,21)/p+1