(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-methoxypropyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-methoxypropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(3-methoxypropyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-methoxypropyl)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-methoxypropyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(3-methoxypropyl)ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

COCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C18H22BrNO2/c1-21-11-5-10-20-13-16-12-17(19)8-9-18(16)22-14-15-6-3-2-4-7-15/h2-4,6-9,12,20H,5,10-11,13-14H2,1H3/p+1