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

Systemtic Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[4-(4-morpholinylsulfonyl)phenoxy]-3-(1-piperazin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-piperazin-4-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-piperazin-4-ium-1-yl-propan-2-ol Formula: C17H28N3O5S+ MolecularWeight: 386.48632

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O

Isomeric SMILES

C1CN(CC[NH2+]1)C[C@@H](COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O

InChI

InChI=1S/C17H27N3O5S/c21-15(13-19-7-5-18-6-8-19)14-25-16-1-3-17(4-2-16)26(22,23)20-9-11-24-12-10-20/h1-4,15,18,21H,5-14H2/p+1/t15-/m0/s1