N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylphenoxy)benzenesulfonamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylphenoxy)benzenesulfonamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylphenoxy)benzenesulfonamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-(4-methylphenoxy)benzenesulfonamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-4-(4-methylphenoxy)benzenesulfonamide Traditional Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4-(4-methylphenoxy)benzenesulfonamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCC(C)(C)[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)NCC(C)(C)[NH+]3CCOCC3

InChI

InChI=1S/C21H28N2O4S/c1-17-4-6-18(7-5-17)27-19-8-10-20(11-9-19)28(24,25)22-16-21(2,3)23-12-14-26-15-13-23/h4-11,22H,12-16H2,1-3H3/p+1