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

Systemtic Name: (5S)-5-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O2S/c1-14-2-4-17-16(10-14)11-18(26-17)20(24)22-13-15-3-5-19(21-12-15)23-6-8-25-9-7-23/h3,5,11-12,14H,2,4,6-10,13H2,1H3,(H,22,24)/p+1/t14-/m0/s1