[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-(phenylmethyl)azanium Openeye Name: benzyl-[[5-bromo-2-(p-tolylmethoxy)phenyl]methyl]ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl]azanium Traditional Name: benzyl-[5-bromo-2-(4-methylbenzyl)oxy-benzyl]ammonium Formula: C22H23BrNO+ MolecularWeight: 397.32812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)C[NH2+]CC3=CC=CC=C3

InChI

InChI=1S/C22H22BrNO/c1-17-7-9-19(10-8-17)16-25-22-12-11-21(23)13-20(22)15-24-14-18-5-3-2-4-6-18/h2-13,24H,14-16H2,1H3/p+1