ethyl 2-(piperidin-1-ium-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(piperidin-1-ium-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(piperidin-1-ium-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[oxo-(4-piperidin-1-iumylmethylamino)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(piperidin-1-ium-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(piperidin-1-ium-4-ylmethylcarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C18H28N3O3S+ MolecularWeight: 366.49822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CC[NH2+]CC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)NCC3CC[NH2+]CC3

InChI

InChI=1S/C18H27N3O3S/c1-2-24-17(22)15-13-5-3-4-6-14(13)25-16(15)21-18(23)20-11-12-7-9-19-10-8-12/h12,19H,2-11H2,1H3,(H2,20,21,23)/p+1