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

Systemtic Name: ethyl (6R)-6-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[3-(4-morpholin-4-iumyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-(3-morpholin-4-ium-4-ylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H29N2O4S+ MolecularWeight: 381.50956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CC[NH+]3CCOCC3

InChI

InChI=1S/C19H28N2O4S/c1-3-25-19(23)17-14-5-4-13(2)12-15(14)26-18(17)20-16(22)6-7-21-8-10-24-11-9-21/h13H,3-12H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1