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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCC3(CC2)OCCO3)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2CCC3(CC2)OCCO3)C(=O)OCC

InChI

InChI=1S/C18H26N2O5S/c1-3-13-11-14(17(22)23-4-2)16(26-13)19-15(21)12-20-7-5-18(6-8-20)24-9-10-25-18/h11H,3-10,12H2,1-2H3,(H,19,21)/p+1