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

Systemtic Name: methyl 2-[2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H25N2O5S+ MolecularWeight: 369.4558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O5S/c1-3-12-10-13(16(21)22-2)15(25-12)18-14(20)11-19-6-4-17(5-7-19)23-8-9-24-17/h10H,3-9,11H2,1-2H3,(H,18,20)/p+1