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

Systemtic Name: (5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (2-benzoxy-5-bromo-3-methoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C22H31BrNO3+ MolecularWeight: 437.39044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

Isomeric SMILES

CCCCOCCC[NH2+]CC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)Br

InChI

InChI=1S/C22H30BrNO3/c1-3-4-12-26-13-8-11-24-16-19-14-20(23)15-21(25-2)22(19)27-17-18-9-6-5-7-10-18/h5-7,9-10,14-15,24H,3-4,8,11-13,16-17H2,1-2H3/p+1