(2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-(4-morpholinylsulfonyl)phenoxy]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C18H29N2O5S+ MolecularWeight: 385.49826

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O

Isomeric SMILES

C1CC[NH+](CC1)C[C@@H](COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O

InChI

InChI=1S/C18H28N2O5S/c21-16(14-19-8-2-1-3-9-19)15-25-17-4-6-18(7-5-17)26(22,23)20-10-12-24-13-11-20/h4-7,16,21H,1-3,8-15H2/p+1/t16-/m0/s1