(5-bromanyl-2-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-cycloheptyl-azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-cycloheptyl-ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-cycloheptylammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-cycloheptylazanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-cycloheptyl-ammonium Formula: C21H27BrNO+ MolecularWeight: 389.34918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

C1CCCC(CC1)[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26BrNO/c22-19-12-13-21(24-16-17-8-4-3-5-9-17)18(14-19)15-23-20-10-6-1-2-7-11-20/h3-5,8-9,12-14,20,23H,1-2,6-7,10-11,15-16H2/p+1