ethyl 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[1-oxo-3-(1-pyrrolidin-1-iumyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-pyrrolidin-1-ium-1-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H27N2O3S+ MolecularWeight: 351.48358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC[NH+]3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC[NH+]3CCCC3

InChI

InChI=1S/C18H26N2O3S/c1-2-23-18(22)16-13-7-3-4-8-14(13)24-17(16)19-15(21)9-12-20-10-5-6-11-20/h2-12H2,1H3,(H,19,21)/p+1