[(1R)-1-(1-adamantyl)ethyl]-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-methoxy-benzyl]ammonium Formula: C26H41N2O3+ MolecularWeight: 429.61534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C=C4)OCC(=O)NC(C)(C)C)OC

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C=C4)OCC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C26H40N2O3/c1-17(26-12-19-8-20(13-26)10-21(9-19)14-26)27-15-18-6-7-22(23(11-18)30-5)31-16-24(29)28-25(2,3)4/h6-7,11,17,19-21,27H,8-10,12-16H2,1-5H3,(H,28,29)/p+1/t17-,19?,20?,21?,26?/m1/s1