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

Systemtic Name: propan-2-yl (6S)-2-[2-(4-ethylpyridin-1-ium-1-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-5-16-8-10-24(11-9-16)13-19(25)23-21-20(22(26)27-14(2)3)17-7-6-15(4)12-18(17)28-21/h8-11,14-15H,5-7,12-13H2,1-4H3/p+1/t15-/m0/s1