(2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: (2S)-2-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: (2S)-2-methyl-N-(3-morpholin-4-ium-4-ylpropyl)-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C18H28N3OS+ MolecularWeight: 334.49942

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=CC=CC=C2N1C(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1CCC2=CC=CC=C2N1C(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C18H27N3OS/c1-15-7-8-16-5-2-3-6-17(16)21(15)18(23)19-9-4-10-20-11-13-22-14-12-20/h2-3,5-6,15H,4,7-14H2,1H3,(H,19,23)/p+1/t15-/m0/s1