(5S)-5-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-ethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-ethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-ethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-ethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C21H27N3O2S/c1-2-15-3-5-18-17(11-15)12-19(27-18)21(25)23-14-16-4-6-20(22-13-16)24-7-9-26-10-8-24/h4,6,12-13,15H,2-3,5,7-11,14H2,1H3,(H,23,25)/p+1/t15-/m0/s1