[3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-cycloheptyl-azanium

Systemtic Name: [3,5-bis(bromanyl)-4-phenylmethoxy-phenyl]methyl-cycloheptyl-azanium Openeye Name: (4-benzyloxy-3,5-dibromo-phenyl)methyl-cycloheptyl-ammonium CAS Name: cycloheptyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: cycloheptyl-[(3,5-dibromo-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3,5-dibromo-benzyl)-cycloheptyl-ammonium Formula: C21H26Br2NO+ MolecularWeight: 468.24524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25Br2NO/c22-19-12-17(14-24-18-10-6-1-2-7-11-18)13-20(23)21(19)25-15-16-8-4-3-5-9-16/h3-5,8-9,12-13,18,24H,1-2,6-7,10-11,14-15H2/p+1