[5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium

Systemtic Name: [5-bromanyl-2-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Openeye Name: [5-bromo-2-(p-tolylmethoxy)phenyl]methyl-[3-(methylammonio)propyl]ammonium CAS Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylammonio)propyl]ammonium IUPAC Name: [5-bromo-2-[(4-methylphenyl)methoxy]phenyl]methyl-[3-(methylazaniumyl)propyl]azanium Traditional Name: [5-bromo-2-(4-methylbenzyl)oxy-benzyl]-[3-(methylammonio)propyl]ammonium Formula: C19H27BrN2O+2 MolecularWeight: 379.33448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O/c1-15-4-6-16(7-5-15)14-23-19-9-8-18(20)12-17(19)13-22-11-3-10-21-2/h4-9,12,21-22H,3,10-11,13-14H2,1-2H3/p+2