1-adamantylmethyl-[(5-chloranyl-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 1-adamantylmethyl-[(5-chloranyl-2-oxidanyl-phenyl)methyl]azanium Openeye Name: 1-adamantylmethyl-[(5-chloro-2-hydroxy-phenyl)methyl]ammonium CAS Name: 1-adamantylmethyl-[(5-chloro-2-hydroxyphenyl)methyl]ammonium IUPAC Name: 1-adamantylmethyl-[(5-chloro-2-hydroxyphenyl)methyl]azanium Traditional Name: 1-adamantylmethyl-(5-chloro-2-hydroxy-benzyl)ammonium Formula: C18H25ClNO+ MolecularWeight: 306.8502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24ClNO/c19-16-1-2-17(21)15(6-16)10-20-11-18-7-12-3-13(8-18)5-14(4-12)9-18/h1-2,6,12-14,20-21H,3-5,7-11H2/p+1