ethyl 7-chloranyl-6-methanoyl-2-(2-piperidin-1-ium-1-ylethanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-methanoyl-2-(2-piperidin-1-ium-1-ylethanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 7-chloro-6-formyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 7-chloro-6-formyl-2-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-formyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 7-chloro-6-formyl-2-[(2-piperidin-1-ium-1-ylacetyl)amino]-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H24ClN2O4S+ MolecularWeight: 411.92286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(=C2Cl)C=O)NC(=O)C[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(=C2Cl)C=O)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C19H23ClN2O4S/c1-2-26-19(25)15-13-7-6-12(11-23)16(20)17(13)27-18(15)21-14(24)10-22-8-4-3-5-9-22/h11H,2-10H2,1H3,(H,21,24)/p+1