1-adamantyl-[2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[[2-[(5-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-ethyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[2-(5-chloro-2-methyl-anilino)-2-oxo-ethyl]-ethyl-amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylamino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[2-(5-chloro-2-methyl-anilino)-2-keto-ethyl]-ethyl-amino]-2-keto-ethyl]ammonium Formula: C23H33ClN3O2+ MolecularWeight: 418.98002

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC(=O)NC1=C(C=CC(=C1)Cl)C)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32ClN3O2/c1-3-27(14-21(28)26-20-9-19(24)5-4-15(20)2)22(29)13-25-23-10-16-6-17(11-23)8-18(7-16)12-23/h4-5,9,16-18,25H,3,6-8,10-14H2,1-2H3,(H,26,28)/p+1