1-adamantyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[(3,4,5-trimethoxybenzyl)amino]ethyl]ammonium Formula: C22H33N2O4+ MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O4/c1-26-18-7-17(8-19(27-2)21(18)28-3)12-23-20(25)13-24-22-9-14-4-15(10-22)6-16(5-14)11-22/h7-8,14-16,24H,4-6,9-13H2,1-3H3,(H,23,25)/p+1