1-adamantyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]ammonium Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N2O3/c1-24-16-3-4-18(25-2)17(8-16)22-19(23)12-21-20-9-13-5-14(10-20)7-15(6-13)11-20/h3-4,8,13-15,21H,5-7,9-12H2,1-2H3,(H,22,23)/p+1