1-adamantyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]ammonium Formula: C19H23ClN3O+ MolecularWeight: 344.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22ClN3O/c20-17-6-16(2-1-15(17)10-21)23-18(24)11-22-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,12-14,22H,3-5,7-9,11H2,(H,23,24)/p+1