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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+](CCO)CC2=CC=CC=C2)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+](CCO)CC2=CC=CC=C2)Br)OC

InChI

InChI=1S/C18H22BrNO3/c1-22-17-11-18(23-2)16(19)10-15(17)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