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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-hexyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-hexyl-ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-hexylammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-hexylazanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-hexyl-ammonium Formula: C21H29BrNO2+ MolecularWeight: 407.36446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-3-4-5-9-12-23-15-18-13-19(22)21(20(14-18)24-2)25-16-17-10-7-6-8-11-17/h6-8,10-11,13-14,23H,3-5,9,12,15-16H2,1-2H3/p+1