2-[(1-adamantylazaniumyl)methyl]-4,6-bis(chloranyl)phenolate

Systemtic Name: 2-[(1-adamantylazaniumyl)methyl]-4,6-bis(chloranyl)phenolate Openeye Name: 2-[(1-adamantylammonio)methyl]-4,6-dichloro-phenolate CAS Name: 2-[(1-adamantylammonio)methyl]-4,6-dichlorophenolate IUPAC Name: 2-[(1-adamantylazaniumyl)methyl]-4,6-dichlorophenolate Traditional Name: 2-[(1-adamantylammonio)methyl]-4,6-dichloro-phenolate Formula: C17H21Cl2NO MolecularWeight: 326.26074

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=CC(=C4[O-])Cl)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=CC(=C4[O-])Cl)Cl

InChI

InChI=1S/C17H21Cl2NO/c18-14-4-13(16(21)15(19)5-14)9-20-17-6-10-1-11(7-17)3-12(2-10)8-17/h4-5,10-12,20-21H,1-3,6-9H2