(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-dimethylaminoethyl)-methyl-azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(2-dimethylaminoethyl)-methyl-azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(2-dimethylaminoethyl)-methyl-ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-dimethylaminoethyl)-methylammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(2-dimethylaminoethyl)-methylazanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(2-dimethylaminoethyl)-methyl-ammonium Formula: C13H22BrN2O2+ MolecularWeight: 318.22998

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN(C)C)CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

C[NH+](CCN(C)C)CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C13H21BrN2O2/c1-15(2)5-6-16(3)9-10-7-11(14)13(17)12(8-10)18-4/h7-8,17H,5-6,9H2,1-4H3/p+1