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

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C26H31BrNO3+ MolecularWeight: 485.43324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)OC)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=C(C=C2)OC)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C26H30BrNO3/c1-4-30-25-16-22(17-28-14-13-20-9-11-23(29-3)12-10-20)15-24(27)26(25)31-18-21-7-5-19(2)6-8-21/h5-12,15-16,28H,4,13-14,17-18H2,1-3H3/p+1