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

Systemtic Name: 1-adamantyl-[2-[[2-[(5-chloranyl-2-methoxy-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[[2-(5-chloro-2-methoxy-anilino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-[[2-(5-chloro-2-methoxy-anilino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl]ammonium Formula: C22H31ClN3O3+ MolecularWeight: 420.95284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN3O3/c1-26(13-20(27)25-18-8-17(23)3-4-19(18)29-2)21(28)12-24-22-9-14-5-15(10-22)7-16(6-14)11-22/h3-4,8,14-16,24H,5-7,9-13H2,1-2H3,(H,25,27)/p+1