(5-bromanyl-2-methoxy-phenyl)methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Openeye Name: (5-bromo-2-methoxy-phenyl)methyl-methyl-[(3-morpholinosulfonylphenyl)methyl]ammonium CAS Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[[3-(4-morpholinylsulfonyl)phenyl]methyl]ammonium IUPAC Name: (5-bromo-2-methoxyphenyl)methyl-methyl-[(3-morpholin-4-ylsulfonylphenyl)methyl]azanium Traditional Name: (5-bromo-2-methoxy-benzyl)-methyl-(3-morpholinosulfonylbenzyl)ammonium Formula: C20H26BrN2O4S+ MolecularWeight: 470.40044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

C[NH+](CC1=CC(=CC=C1)S(=O)(=O)N2CCOCC2)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H25BrN2O4S/c1-22(15-17-13-18(21)6-7-20(17)26-2)14-16-4-3-5-19(12-16)28(24,25)23-8-10-27-11-9-23/h3-7,12-13H,8-11,14-15H2,1-2H3/p+1