(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-butoxypropyl)azanium

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-butoxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-butoxypropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-butoxypropyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-butoxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-butoxypropyl)ammonium Formula: C22H31BrNO3+ MolecularWeight: 437.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO3/c1-3-4-12-26-13-8-11-24-16-19-14-20(23)22(21(15-19)25-2)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