methyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-piperidin-1-ium-1-ylethanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-piperidin-1-ium-1-ylacetyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C16H23N2O3S+ MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCC2)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C16H22N2O3S/c1-21-16(20)14-11-6-5-7-12(11)22-15(14)17-13(19)10-18-8-3-2-4-9-18/h2-10H2,1H3,(H,17,19)/p+1