(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-butyl-azanium

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-butyl-azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-butyl-ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-butylammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-butylazanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-butyl-ammonium Formula: C19H25BrNO2+ MolecularWeight: 379.3113

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CCCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C19H24BrNO2/c1-3-4-10-21-13-16-11-17(20)12-18(22-2)19(16)23-14-15-8-6-5-7-9-15/h5-9,11-12,21H,3-4,10,13-14H2,1-2H3/p+1