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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-pentyl-azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-pentyl-ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-pentylammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-pentylazanium Traditional Name: amyl-(3-bromo-4-hydroxy-5-methoxy-benzyl)ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO2/c1-3-4-5-6-15-9-10-7-11(14)13(16)12(8-10)17-2/h7-8,15-16H,3-6,9H2,1-2H3/p+1