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

Systemtic Name: [3-bromanyl-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [3-bromo-5-methoxy-4-(p-tolylmethoxy)phenyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [3-bromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [3-bromo-5-methoxy-4-(4-methylbenzyl)oxy-benzyl]-[3-(methylammonio)propyl]ammonium Formula: C20H29BrN2O2+2 MolecularWeight: 409.36046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O2/c1-15-5-7-16(8-6-15)14-25-20-18(21)11-17(12-19(20)24-3)13-23-10-4-9-22-2/h5-8,11-12,22-23H,4,9-10,13-14H2,1-3H3/p+2