1-[9-(diphenylmethyl)-6-(phenylmethoxyamino)purin-9-ium-7-yl]-5-phenyl-pentan-3-ol bromide

Systemtic Name: 1-[9-(diphenylmethyl)-6-(phenylmethoxyamino)purin-9-ium-7-yl]-5-phenyl-pentan-3-ol bromide Openeye Name: 1-[9-benzhydryl-6-(benzyloxyamino)purin-9-ium-7-yl]-5-phenyl-pentan-3-ol bromide CAS Name: 1-[9-(diphenylmethyl)-6-(phenylmethoxyamino)-7-purin-9-iumyl]-5-phenyl-3-pentanol bromide IUPAC Name: 1-[9-benzhydryl-6-(phenylmethoxyamino)purin-9-ium-7-yl]-5-phenylpentan-3-ol bromide Traditional Name: 1-[9-benzhydryl-6-(benzoxyamino)purin-9-ium-7-yl]-5-phenyl-pentan-3-ol bromide Formula: C36H36BrN5O2 MolecularWeight: 650.60734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CCN2C=[N+](C3=C2C(=NC=N3)NOCC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(CCN2C=[N+](C3=C2C(=NC=N3)NOCC4=CC=CC=C4)C(C5=CC=CC=C5)C6=CC=CC=C6)O.[Br-]

InChI

InChI=1S/C36H36N5O2.BrH/c42-32(22-21-28-13-5-1-6-14-28)23-24-40-27-41(33(30-17-9-3-10-18-30)31-19-11-4-12-20-31)36-34(40)35(37-26-38-36)39-43-25-29-15-7-2-8-16-29;/h1-20,26-27,32-33,42H,21-25H2,(H,37,38,39);1H/q+1;/p-1