ethyl (6R)-6-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6R)-6-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6R)-6-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: (6R)-6-methyl-2-[[(2S)-1-oxo-2-(1-piperidin-1-iumyl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: (6R)-6-methyl-2-[[(2S)-2-piperidin-1-ium-1-ylpropanoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H31N2O3S+ MolecularWeight: 379.53674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)[NH+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@H](C2)C)NC(=O)[C@H](C)[NH+]3CCCCC3

InChI

InChI=1S/C20H30N2O3S/c1-4-25-20(24)17-15-9-8-13(2)12-16(15)26-19(17)21-18(23)14(3)22-10-6-5-7-11-22/h13-14H,4-12H2,1-3H3,(H,21,23)/p+1/t13-,14+/m1/s1