1-adamantyl-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2-benzoyl-4-chloro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2-benzoyl-4-chloro-anilino)-2-keto-ethyl]ammonium Formula: C25H28ClN2O2+ MolecularWeight: 423.95502

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H27ClN2O2/c26-20-6-7-22(21(11-20)24(30)19-4-2-1-3-5-19)28-23(29)15-27-25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,16-18,27H,8-10,12-15H2,(H,28,29)/p+1