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

Systemtic Name: 1-adamantyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(veratrylamino)ethyl]ammonium Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-25-18-4-3-14(8-19(18)26-2)12-22-20(24)13-23-21-9-15-5-16(10-21)7-17(6-15)11-21/h3-4,8,15-17,23H,5-7,9-13H2,1-2H3,(H,22,24)/p+1