(2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide

Systemtic Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide Openeye Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)indoline-1-carbothioamide CAS Name: (2S)-2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-2,3-dihydroindole-1-carbothioamide IUPAC Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-2,3-dihydroindole-1-carbothioamide Traditional Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)indoline-1-carbothioamide Formula: C17H26N3OS+ MolecularWeight: 320.47284

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H25N3OS/c1-14-13-15-5-2-3-6-16(15)20(14)17(22)18-7-4-8-19-9-11-21-12-10-19/h2-3,5-6,14H,4,7-13H2,1H3,(H,18,22)/p+1/t14-/m0/s1