(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-butoxypropyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(3-butoxypropyl)ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

Isomeric SMILES

CCCCOCCC[NH2+]CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2

InChI

InChI=1S/C21H28BrNO2/c1-2-3-13-24-14-7-12-23-16-19-15-20(22)10-11-21(19)25-17-18-8-5-4-6-9-18/h4-6,8-11,15,23H,2-3,7,12-14,16-17H2,1H3/p+1