1-adamantyl-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: 1-adamantyl-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: 1-adamantyl-[(2-benzyloxy-5-bromo-phenyl)methyl]ammonium CAS Name: 1-adamantyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: 1-adamantyl-(2-benzoxy-5-bromo-benzyl)ammonium Formula: C24H29BrNO+ MolecularWeight: 427.39716

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=C(C=CC(=C4)Br)OCC5=CC=CC=C5

InChI

InChI=1S/C24H28BrNO/c25-22-6-7-23(27-16-17-4-2-1-3-5-17)21(11-22)15-26-24-12-18-8-19(13-24)10-20(9-18)14-24/h1-7,11,18-20,26H,8-10,12-16H2/p+1