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

Systemtic Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-ethoxy-phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-ethoxy-phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-ethoxyphenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-[2-(tert-butylamino)-2-keto-ethoxy]-3-ethoxy-benzyl]ammonium Formula: C25H39N2O3+ MolecularWeight: 415.58876

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC(=O)NC(C)(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C2C3CC4CC(C3)CC2C4)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C25H38N2O3/c1-5-29-22-13-16(6-7-21(22)30-15-23(28)27-25(2,3)4)14-26-24-19-9-17-8-18(11-19)12-20(24)10-17/h6-7,13,17-20,24,26H,5,8-12,14-15H2,1-4H3,(H,27,28)/p+1