1-adamantyl-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(2-chloranyl-4,6-dimethyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2-chloro-4,6-dimethyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2-chloro-4,6-dimethyl-anilino)-2-keto-ethyl]ammonium Formula: C20H28ClN2O+ MolecularWeight: 347.90212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C20H27ClN2O/c1-12-3-13(2)19(17(21)4-12)23-18(24)11-22-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16,22H,5-11H2,1-2H3,(H,23,24)/p+1