(5-bromanyl-2-oxidanyl-phenyl)methylidene-[[(5S,7R)-3-chloranyl-1-adamantyl]methyl]azanium

Systemtic Name: (5-bromanyl-2-oxidanyl-phenyl)methylidene-[[(5S,7R)-3-chloranyl-1-adamantyl]methyl]azanium Openeye Name: (5-bromo-2-hydroxy-phenyl)methylene-[[(5S,7R)-3-chloro-1-adamantyl]methyl]ammonium CAS Name: (5-bromo-2-hydroxyphenyl)methylidene-[[(5S,7R)-3-chloro-1-adamantyl]methyl]ammonium IUPAC Name: (5-bromo-2-hydroxyphenyl)methylidene-[[(5S,7R)-3-chloro-1-adamantyl]methyl]azanium Traditional Name: (5-bromo-2-hydroxy-benzylidene)-[[(5S,7R)-3-chloro-1-adamantyl]methyl]ammonium Formula: C18H22BrClNO+ MolecularWeight: 383.73038

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C[NH+]=CC4=C(C=CC(=C4)Br)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C[NH+]=CC4=C(C=CC(=C4)Br)O

InChI

InChI=1S/C18H21BrClNO/c19-15-1-2-16(22)14(4-15)9-21-11-17-5-12-3-13(6-17)8-18(20,7-12)10-17/h1-2,4,9,12-13,22H,3,5-8,10-11H2/p+1/t12-,13+,17?,18?