propan-2-yl (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: propan-2-yl (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: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O3S/c1-6-17-9-8-16(5)25(12-17)13-20(26)24-22-21(23(27)28-14(2)3)18-10-7-15(4)11-19(18)29-22/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3/p+1/t15-/m0/s1