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

Systemtic Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxidanylidene-ethoxy]-3-methoxy-phenyl]methyl]azanium Openeye Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxo-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: 1-adamantyl-[[4-[2-(tert-butylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: 1-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+]C23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

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

InChI

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