methyl (6S)-2-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl (6S)-2-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(4-ethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl (6S)-2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(4-ethylpyridin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H25N2O3S+ MolecularWeight: 373.4891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCC1=CC=[N+](C=C1)CC(=O)NC2=C(C3=C(S2)C[C@H](CC3)C)C(=O)OC

InChI

InChI=1S/C20H24N2O3S/c1-4-14-7-9-22(10-8-14)12-17(23)21-19-18(20(24)25-3)15-6-5-13(2)11-16(15)26-19/h7-10,13H,4-6,11-12H2,1-3H3/p+1/t13-/m0/s1