2-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonium Formula: C24H37N2O3+ MolecularWeight: 401.56218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC

Isomeric SMILES

CC(C)(C)NC(=O)COC1=C(C=C(C=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OC

InChI

InChI=1S/C24H36N2O3/c1-24(2,3)26-22(27)14-29-20-6-5-15(12-21(20)28-4)13-25-23-18-8-16-7-17(10-18)11-19(23)9-16/h5-6,12,16-19,23,25H,7-11,13-14H2,1-4H3,(H,26,27)/p+1