5-bromanyl-2-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Openeye Name: 5-bromo-2-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide CAS Name: 5-bromo-2-methoxy-N-[[2-(4-morpholin-4-iumylmethyl)phenyl]methyl]benzenesulfonamide IUPAC Name: 5-bromo-2-methoxy-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]benzenesulfonamide Traditional Name: 5-bromo-2-methoxy-N-[2-(morpholin-4-ium-4-ylmethyl)benzyl]benzenesulfonamide Formula: C19H24BrN2O4S+ MolecularWeight: 456.37386

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)NCC2=CC=CC=C2C[NH+]3CCOCC3

InChI

InChI=1S/C19H23BrN2O4S/c1-25-18-7-6-17(20)12-19(18)27(23,24)21-13-15-4-2-3-5-16(15)14-22-8-10-26-11-9-22/h2-7,12,21H,8-11,13-14H2,1H3/p+1