(5S)-5-ethyl-N-(3-oxidanylpyridin-1-ium-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-ethyl-N-(3-oxidanylpyridin-1-ium-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-ethyl-N-(3-hydroxypyridin-1-ium-2-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-ethyl-N-(3-hydroxy-2-pyridin-1-iumyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-ethyl-N-(3-hydroxypyridin-1-ium-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-ethyl-N-(3-hydroxypyridin-1-ium-2-yl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C16H19N2O2S+ MolecularWeight: 303.39926

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C16H18N2O2S/c1-2-10-5-6-13-11(8-10)9-14(21-13)16(20)18-15-12(19)4-3-7-17-15/h3-4,7,9-10,19H,2,5-6,8H2,1H3,(H,17,18,20)/p+1/t10-/m0/s1