4-[[2-azanyl-3,5-bis(bromanyl)phenyl]methylamino]cyclohexan-1-ol nitrate

Systemtic Name: 4-[[2-azanyl-3,5-bis(bromanyl)phenyl]methylamino]cyclohexan-1-ol nitrate Openeye Name: 4-[(2-amino-3,5-dibromo-phenyl)methylamino]cyclohexanol nitrate CAS Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]-1-cyclohexanol nitrate IUPAC Name: 4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol nitrate Traditional Name: 4-[(2-amino-3,5-dibromo-benzyl)amino]cyclohexanol nitrate Formula: C13H18Br2N3O4- MolecularWeight: 440.10772

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O.[N+](=O)([O-])[O-]

Isomeric SMILES

C1CC(CCC1NCC2=CC(=CC(=C2N)Br)Br)O.[N+](=O)([O-])[O-]

InChI

InChI=1S/C13H18Br2N2O.NO3/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10;2-1(3)4/h5-6,10-11,17-18H,1-4,7,16H2;/q;-1