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

Systemtic Name: (6S)-6-methyl-N-(3-oxidanylpyridin-1-ium-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-N-(3-hydroxypyridin-1-ium-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-N-(3-hydroxy-2-pyridin-1-iumyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-N-(3-hydroxypyridin-1-ium-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-N-(3-hydroxypyridin-1-ium-2-yl)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C15H17N2O2S+ MolecularWeight: 289.37268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC=C2C(=O)NC3=C(C=CC=[NH+]3)O

Isomeric SMILES

C[C@H]1CCC2=C(C1)SC=C2C(=O)NC3=C(C=CC=[NH+]3)O

InChI

InChI=1S/C15H16N2O2S/c1-9-4-5-10-11(8-20-13(10)7-9)15(19)17-14-12(18)3-2-6-16-14/h2-3,6,8-9,18H,4-5,7H2,1H3,(H,16,17,19)/p+1/t9-/m0/s1