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

Systemtic Name: propan-2-yl 2-[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(5-ethyl-2-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(5-ethyl-2-methylpyridin-1-ium-1-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(5-ethyl-2-methyl-pyridin-1-ium-1-yl)acetyl]amino]-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=C[N+](=C(C=C1)C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

Isomeric SMILES

CCC1=C[N+](=C(C=C1)C)CC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C

InChI

InChI=1S/C22H28N2O3S/c1-5-16-11-10-15(4)24(12-16)13-19(25)23-21-20(22(26)27-14(2)3)17-8-6-7-9-18(17)28-21/h10-12,14H,5-9,13H2,1-4H3/p+1