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

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

Systemtic Name:1-adamantyl-[[3-methoxy-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethoxy]phenyl]methyl]azanium
Openeye Name:1-adamantyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxo-ethoxy]phenyl]methyl]ammonium
CAS Name:1-adamantyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]ammonium
IUPAC Name:1-adamantyl-[[3-methoxy-4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methyl]azanium
Traditional Name:1-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+]C34CC5CC(C3)CC(C5)C4)OC


Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)C[NH2+]C34CC5CC(C3)CC(C5)C4)OC


InChI

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


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