(2S)-1-(2-methylquinazolin-4-yl)sulfanyl-3-morpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-methylquinazolin-4-yl)sulfanyl-3-morpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(2-methylquinazolin-4-yl)sulfanyl-3-morpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[(2-methyl-4-quinazolinyl)thio]-3-(4-morpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-methylquinazolin-4-yl)sulfanyl-3-morpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[(2-methylquinazolin-4-yl)thio]-3-morpholin-4-ium-4-yl-propan-2-ol Formula: C16H22N3O2S+ MolecularWeight: 320.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(C[NH+]3CCOCC3)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SC[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C16H21N3O2S/c1-12-17-15-5-3-2-4-14(15)16(18-12)22-11-13(20)10-19-6-8-21-9-7-19/h2-5,13,20H,6-11H2,1H3/p+1/t13-/m0/s1