4-[(1S,2S)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]-1-oxidanyl-propyl]phenol

Systemtic Name: 4-[(1S,2S)-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]-1-oxidanyl-propyl]phenol Openeye Name: 4-[(1S,2S)-1-hydroxy-2-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]phenol CAS Name: 4-[(1S,2S)-1-hydroxy-2-[[5-(4-morpholinylsulfonyl)-2-pyridin-1-iumyl]amino]propyl]phenol IUPAC Name: 4-[(1S,2S)-1-hydroxy-2-[(5-morpholin-4-ylsulfonylpyridin-1-ium-2-yl)amino]propyl]phenol Traditional Name: 4-[(1S,2S)-1-hydroxy-2-[(5-morpholinosulfonylpyridin-1-ium-2-yl)amino]propyl]phenol Formula: C18H24N3O5S+ MolecularWeight: 394.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

C[C@@H]([C@H](C1=CC=C(C=C1)O)O)NC2=[NH+]C=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C18H23N3O5S/c1-13(18(23)14-2-4-15(22)5-3-14)20-17-7-6-16(12-19-17)27(24,25)21-8-10-26-11-9-21/h2-7,12-13,18,22-23H,8-11H2,1H3,(H,19,20)/p+1/t13-,18+/m0/s1