(2-bromanyl-4,5-dimethoxy-phenyl)methyl-(2-hydroxyethyl)-(phenylmethyl)azanium

Systemtic Name: (2-bromanyl-4,5-dimethoxy-phenyl)methyl-(2-hydroxyethyl)-(phenylmethyl)azanium Openeye Name: benzyl-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-(2-hydroxyethyl)ammonium CAS Name: (2-bromo-4,5-dimethoxyphenyl)methyl-(2-hydroxyethyl)-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]-(2-hydroxyethyl)azanium Traditional Name: benzyl-(2-bromo-4,5-dimethoxy-benzyl)-(2-hydroxyethyl)ammonium Formula: C18H23BrNO3+ MolecularWeight: 381.28412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C[NH+](CCO)CC2=CC=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C[NH+](CCO)CC2=CC=CC=C2)Br)OC

InChI

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