(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(4-oxidanylbutyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(4-oxidanylbutyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(4-hydroxybutyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(4-hydroxybutyl)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(4-hydroxybutyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(4-hydroxybutyl)ammonium Formula: C18H23BrNO2+ MolecularWeight: 365.28472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO2/c19-17-8-9-18(22-14-15-6-2-1-3-7-15)16(12-17)13-20-10-4-5-11-21/h1-3,6-9,12,20-21H,4-5,10-11,13-14H2/p+1