[5-(1-adamantyl)-2,3-bis(oxidanyl)phenyl]methyl-bis(phenylmethyl)azanium

Systemtic Name: [5-(1-adamantyl)-2,3-bis(oxidanyl)phenyl]methyl-bis(phenylmethyl)azanium Openeye Name: [5-(1-adamantyl)-2,3-dihydroxy-phenyl]methyl-dibenzyl-ammonium CAS Name: [5-(1-adamantyl)-2,3-dihydroxyphenyl]methyl-bis(phenylmethyl)ammonium IUPAC Name: [5-(1-adamantyl)-2,3-dihydroxyphenyl]methyl-dibenzylazanium Traditional Name: [5-(1-adamantyl)-2,3-dihydroxy-benzyl]-dibenzyl-ammonium Formula: C31H36NO2+ MolecularWeight: 454.62304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)O)O)C[NH+](CC5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C(=C4)O)O)C[NH+](CC5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C31H35NO2/c33-29-15-28(31-16-24-11-25(17-31)13-26(12-24)18-31)14-27(30(29)34)21-32(19-22-7-3-1-4-8-22)20-23-9-5-2-6-10-23/h1-10,14-15,24-26,33-34H,11-13,16-21H2/p+1