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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-methyl-phenethyl-azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-methyl-phenethyl-ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-methyl-phenethylammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-methyl-phenethylazanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-methyl-phenethyl-ammonium Formula: C17H21BrNO2+ MolecularWeight: 351.25814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CC2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CC2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C17H20BrNO2/c1-19(9-8-13-6-4-3-5-7-13)12-14-10-15(18)17(20)16(11-14)21-2/h3-7,10-11,20H,8-9,12H2,1-2H3/p+1