(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(7-methyloctyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-(7-methyloctyl)azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(7-methyloctyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(7-methyloctyl)ammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-(7-methyloctyl)azanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(7-methyloctyl)ammonium Formula: C17H29BrNO2+ MolecularWeight: 359.32166

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

Isomeric SMILES

CC(C)CCCCCC[NH2+]CC1=CC(=C(C(=C1)Br)O)OC

InChI

InChI=1S/C17H28BrNO2/c1-13(2)8-6-4-5-7-9-19-12-14-10-15(18)17(20)16(11-14)21-3/h10-11,13,19-20H,4-9,12H2,1-3H3/p+1