methyl 2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[3-[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]propanoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N2O4S+ MolecularWeight: 403.51508

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H26N2O4S/c1-14-11-23(12-15(2)27-14)10-9-18(24)22-20-19(21(25)26-3)17(13-28-20)16-7-5-4-6-8-16/h4-8,13-15H,9-12H2,1-3H3,(H,22,24)/p+1/t14-,15-/m1/s1