(2S)-1-(4,8-dimethylquinolin-2-yl)sulfanyl-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-(4,8-dimethylquinolin-2-yl)sulfanyl-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[(4,8-dimethyl-2-quinolyl)sulfanyl]-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[(4,8-dimethyl-2-quinolinyl)thio]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4,8-dimethylquinolin-2-yl)sulfanyl-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[(4,8-dimethyl-2-quinolyl)thio]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C18H25N2O2S+ MolecularWeight: 333.4683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C18H24N2O2S/c1-13-4-3-5-16-14(2)10-17(19-18(13)16)23-12-15(21)11-20-6-8-22-9-7-20/h3-5,10,15,21H,6-9,11-12H2,1-2H3/p+1/t15-/m0/s1