propan-2-yl 2-(2-morpholin-4-ium-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-(2-morpholin-4-ium-4-ylethanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-morpholin-4-ium-4-ylacetyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C18H27N2O4S+ MolecularWeight: 367.48298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-12(2)24-18(22)16-13-5-3-4-6-14(13)25-17(16)19-15(21)11-20-7-9-23-10-8-20/h12H,3-11H2,1-2H3,(H,19,21)/p+1