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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-(3-ethoxypropyl)azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-(3-ethoxypropyl)ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-ethoxypropyl)ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-(3-ethoxypropyl)azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-(3-ethoxypropyl)ammonium Formula: C20H27BrNO3+ MolecularWeight: 409.33728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrNO3/c1-3-24-11-7-10-22-14-17-12-18(21)20(19(13-17)23-2)25-15-16-8-5-4-6-9-16/h4-6,8-9,12-13,22H,3,7,10-11,14-15H2,1-2H3/p+1