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

Systemtic Name: ethyl 2-[4-(4-methylpiperidin-1-ium-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-methylpiperidin-1-ium-1-yl)butanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-(4-methyl-1-piperidin-1-iumyl)-1-oxobutyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-methylpiperidin-1-ium-1-yl)butanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[4-(4-methylpiperidin-1-ium-1-yl)butanoylamino]-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=C1CCCC2)NC(=O)CCC[NH+]3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CCC[NH+]3CCC(CC3)C

InChI

InChI=1S/C21H32N2O3S/c1-3-26-21(25)19-16-7-4-5-8-17(16)27-20(19)22-18(24)9-6-12-23-13-10-15(2)11-14-23/h15H,3-14H2,1-2H3,(H,22,24)/p+1