2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-phenethyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)sulfonyl-phenethyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-phenethyl-amino]ethyl-dimethyl-ammonium CAS Name: 2-[(5-bromo-2-methoxyphenyl)sulfonyl-phenethylamino]ethyl-dimethylammonium IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)sulfonyl-phenethylamino]ethyl-dimethylazanium Traditional Name: 2-[(5-bromo-2-methoxy-phenyl)sulfonyl-phenethyl-amino]ethyl-dimethyl-ammonium Formula: C19H26BrN2O3S+ MolecularWeight: 442.39034

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CCC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

C[NH+](C)CCN(CCC1=CC=CC=C1)S(=O)(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C19H25BrN2O3S/c1-21(2)13-14-22(12-11-16-7-5-4-6-8-16)26(23,24)19-15-17(20)9-10-18(19)25-3/h4-10,15H,11-14H2,1-3H3/p+1