[3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [3-bromo-5-ethoxy-4-(p-tolylmethoxy)phenyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzyl]-[3-(methylammonio)propyl]ammonium Formula: C21H31BrN2O2+2 MolecularWeight: 423.38704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH2+]C)Br)OCC2=CC=C(C=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC[NH2+]C)Br)OCC2=CC=C(C=C2)C

InChI

InChI=1S/C21H29BrN2O2/c1-4-25-20-13-18(14-24-11-5-10-23-3)12-19(22)21(20)26-15-17-8-6-16(2)7-9-17/h6-9,12-13,23-24H,4-5,10-11,14-15H2,1-3H3/p+2