ethyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-morpholin-4-ium-4-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C18H26N2O4S/c1-2-24-18(22)16-13-6-4-3-5-7-14(13)25-17(16)19-15(21)12-20-8-10-23-11-9-20/h2-12H2,1H3,(H,19,21)/p+1