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

Systemtic Name: (3-bromanyl-5-methoxy-4-oxidanyl-phenyl)methyl-pentan-3-yl-azanium Openeye Name: (3-bromo-4-hydroxy-5-methoxy-phenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-pentan-3-ylammonium IUPAC Name: (3-bromo-4-hydroxy-5-methoxyphenyl)methyl-pentan-3-ylazanium Traditional Name: (3-bromo-4-hydroxy-5-methoxy-benzyl)-(1-ethylpropyl)ammonium Formula: C13H21BrNO2+ MolecularWeight: 303.21534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20BrNO2/c1-4-10(5-2)15-8-9-6-11(14)13(16)12(7-9)17-3/h6-7,10,15-16H,4-5,8H2,1-3H3/p+1