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

Systemtic Name: methyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C17H25N2O4S+ MolecularWeight: 353.4564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C17H24N2O4S/c1-22-17(21)15-12-4-2-3-5-13(12)24-16(15)18-14(20)6-7-19-8-10-23-11-9-19/h2-11H2,1H3,(H,18,20)/p+1