2-(4-morpholin-4-ylsulfonylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-morpholin-4-ylsulfonylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(4-morpholinosulfonylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(4-morpholinylsulfonyl)phenoxy]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-morpholin-4-ylsulfonylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-morpholinosulfonylphenoxy)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H27N4O5S+ MolecularWeight: 447.52788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O5S/c26-21(24-11-9-23(10-12-24)20-3-1-2-8-22-20)17-30-18-4-6-19(7-5-18)31(27,28)25-13-15-29-16-14-25/h1-8H,9-17H2/p+1