methyl 2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-1-oxoethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H25N2O4S+ MolecularWeight: 341.4457

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C[NH+]2CC(OC(C2)C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C[NH+]2C[C@@H](O[C@H](C2)C)C)C(=O)OC

InChI

InChI=1S/C16H24N2O4S/c1-5-12-6-13(16(20)21-4)15(23-12)17-14(19)9-18-7-10(2)22-11(3)8-18/h6,10-11H,5,7-9H2,1-4H3,(H,17,19)/p+1/t10-,11-/m0/s1