2-adamantyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium

Systemtic Name: 2-adamantyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium Openeye Name: 2-adamantyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl]ammonium CAS Name: 2-adamantyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]azanium Traditional Name: 2-adamantyl-[4-[2-keto-2-(p-toluidino)ethoxy]-3-methoxy-benzyl]ammonium Formula: C27H35N2O3+ MolecularWeight: 435.5784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C27H34N2O3/c1-17-3-6-23(7-4-17)29-26(30)16-32-24-8-5-18(14-25(24)31-2)15-28-27-21-10-19-9-20(12-21)13-22(27)11-19/h3-8,14,19-22,27-28H,9-13,15-16H2,1-2H3,(H,29,30)/p+1