ethyl 2-(2-pyridin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chloride

Systemtic Name: ethyl 2-(2-pyridin-1-ium-1-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chloride Openeye Name: ethyl 2-[(2-pyridin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate chloride CAS Name: 2-[[1-oxo-2-(1-pyridin-1-iumyl)ethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester chloride IUPAC Name: ethyl 2-[(2-pyridin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate chloride Traditional Name: 2-[(2-pyridin-1-ium-1-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester chloride Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CC=CC=C3.[Cl-]

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C[N+]3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C18H20N2O3S.ClH/c1-2-23-18(22)16-13-8-4-5-9-14(13)24-17(16)19-15(21)12-20-10-6-3-7-11-20;/h3,6-7,10-11H,2,4-5,8-9,12H2,1H3;1H