N-[4-chloranyl-2-(phenylcarbonyl)phenyl]adamantane-1-carboxamide; triethylazanium; chloride

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]adamantane-1-carboxamide; triethylazanium; chloride Openeye Name: N-(2-benzoyl-4-chloro-phenyl)adamantane-1-carboxamide; triethylammonium; chloride CAS Name: N-(2-benzoyl-4-chlorophenyl)-1-adamantanecarboxamide; triethylammonium; chloride IUPAC Name: N-(2-benzoyl-4-chlorophenyl)adamantane-1-carboxamide; triethylazanium; chloride Traditional Name: N-(2-benzoyl-4-chloro-phenyl)adamantane-1-carboxamide; triethylammonium; chloride Formula: C30H40Cl2N2O2 MolecularWeight: 531.5568

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC.C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC.C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C24H24ClNO2.C6H15N.ClH/c25-19-6-7-21(20(11-19)22(27)18-4-2-1-3-5-18)26-23(28)24-12-15-8-16(13-24)10-17(9-15)14-24;1-4-7(5-2)6-3;/h1-7,11,15-17H,8-10,12-14H2,(H,26,28);4-6H2,1-3H3;1H