[3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C25H29BrNO3+ MolecularWeight: 471.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCC3=CC=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)COC2=C(C=C(C=C2Br)C[NH2+]CCC3=CC=C(C=C3)OC)OC

InChI

InChI=1S/C25H28BrNO3/c1-18-4-6-20(7-5-18)17-30-25-23(26)14-21(15-24(25)29-3)16-27-13-12-19-8-10-22(28-2)11-9-19/h4-11,14-15,27H,12-13,16-17H2,1-3H3/p+1