(2R)-2-(1-adamantyl)-2-[(5-chloranyl-2-oxidanyl-phenyl)methylideneazaniumyl]ethanoate

Systemtic Name: (2R)-2-(1-adamantyl)-2-[(5-chloranyl-2-oxidanyl-phenyl)methylideneazaniumyl]ethanoate Openeye Name: (2R)-2-(1-adamantyl)-2-[(5-chloro-2-hydroxy-phenyl)methyleneammonio]acetate CAS Name: (2R)-2-(1-adamantyl)-2-[(5-chloro-2-hydroxyphenyl)methylideneammonio]acetate IUPAC Name: (2R)-2-(1-adamantyl)-2-[(5-chloro-2-hydroxyphenyl)methylideneazaniumyl]acetate Traditional Name: (2R)-2-(1-adamantyl)-2-(5-chloro-2-hydroxy-benzylidene)ammonio-acetate Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[C@H](C(=O)[O-])[NH+]=CC4=C(C=CC(=C4)Cl)O

InChI

InChI=1S/C19H22ClNO3/c20-15-1-2-16(22)14(6-15)10-21-17(18(23)24)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,10-13,17,22H,3-5,7-9H2,(H,23,24)/t11?,12?,13?,17-,19?/m0/s1