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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(2-methoxyethyl)azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-(2-methoxyethyl)ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(2-methoxyethyl)ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(2-methoxyethyl)azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(2-methoxyethyl)ammonium Formula: C18H23BrNO3+ MolecularWeight: 381.28412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO3/c1-21-9-8-20-12-15-10-16(19)11-17(22-2)18(15)23-13-14-6-4-3-5-7-14/h3-7,10-11,20H,8-9,12-13H2,1-2H3/p+1