2-(2-methyl-4-morpholin-4-ylsulfonyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(2-methyl-4-morpholin-4-ylsulfonyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(2-methyl-4-morpholinosulfonyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[2-methyl-4-(4-morpholinylsulfonyl)phenoxy]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(2-methyl-4-morpholin-4-ylsulfonylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-(2-methyl-4-morpholinosulfonyl-phenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C18H28N3O5S+ MolecularWeight: 398.49702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)OCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H27N3O5S/c1-15-13-16(27(23,24)21-9-11-25-12-10-21)3-4-17(15)26-14-18(22)20-7-5-19(2)6-8-20/h3-4,13H,5-12,14H2,1-2H3/p+1