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

Systemtic Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Openeye Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol CAS Name: (2S)-1-[4-(4-morpholinylsulfonyl)phenoxy]-3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-propanol IUPAC Name: (2S)-1-(4-morpholin-4-ylsulfonylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-2-ol Traditional Name: (2S)-1-(4-morpholinosulfonylphenoxy)-3-(4-pyridin-1-ium-2-ylpiperazino)propan-2-ol Formula: C22H31N4O5S+ MolecularWeight: 463.57034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C[C@@H](COC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H30N4O5S/c27-19(17-24-9-11-25(12-10-24)22-3-1-2-8-23-22)18-31-20-4-6-21(7-5-20)32(28,29)26-13-15-30-16-14-26/h1-8,19,27H,9-18H2/p+1/t19-/m0/s1