ethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C19H29N2O3S+ MolecularWeight: 365.51016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H28N2O3S/c1-2-24-19(23)17-14-9-5-3-6-10-15(14)25-18(17)20-16(22)13-21-11-7-4-8-12-21/h2-13H2,1H3,(H,20,22)/p+1