ethyl (6R)-6-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[3-(4-methyl-1-piperidin-1-iumyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[3-(4-methylpiperidin-1-ium-1-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H33N2O3S+ MolecularWeight: 393.56332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CC[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)CC[NH+]3CCC(CC3)C

InChI

InChI=1S/C21H32N2O3S/c1-4-26-21(25)19-16-6-5-15(3)13-17(16)27-20(19)22-18(24)9-12-23-10-7-14(2)8-11-23/h14-15H,4-13H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1