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

Systemtic Name: (5S)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H27N2O2S+ MolecularWeight: 323.47348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CCC2=C(C1)C=C(S2)C(=O)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H26N2O2S/c1-13-3-4-15-14(11-13)12-16(22-15)17(20)18-5-2-6-19-7-9-21-10-8-19/h12-13H,2-11H2,1H3,(H,18,20)/p+1/t13-/m0/s1