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

Systemtic Name: methyl (6S)-2-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl (6S)-2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6S)-2-[[2-(5-ethyl-2-methyl-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-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-5-15-8-7-14(3)23(11-15)12-18(24)22-20-19(21(25)26-4)16-9-6-13(2)10-17(16)27-20/h7-8,11,13H,5-6,9-10,12H2,1-4H3/p+1/t13-/m0/s1