1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[2-(phenylmethyl)sulfonylethyl]urea

Systemtic Name: 1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-[2-(phenylmethyl)sulfonylethyl]urea Openeye Name: 1-(2-benzylsulfonylethyl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea CAS Name: 1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-[2-(phenylmethyl)sulfonylethyl]urea IUPAC Name: 1-(2-benzylsulfonylethyl)-3-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]urea Traditional Name: 1-(2-benzylsulfonylethyl)-3-[(6-morpholinopyridin-1-ium-3-yl)methyl]urea Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)NCCS(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)NCCS(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N4O4S/c25-20(21-8-13-29(26,27)16-17-4-2-1-3-5-17)23-15-18-6-7-19(22-14-18)24-9-11-28-12-10-24/h1-7,14H,8-13,15-16H2,(H2,21,23,25)/p+1