2-[3-[2-(1-adamantyl)ethanoylamino]-4-methyl-phenoxy]ethyl-methyl-azanium

Systemtic Name: 2-[3-[2-(1-adamantyl)ethanoylamino]-4-methyl-phenoxy]ethyl-methyl-azanium Openeye Name: 2-[3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-phenoxy]ethyl-methyl-ammonium CAS Name: 2-[3-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-methylphenoxy]ethyl-methylammonium IUPAC Name: 2-[3-[[2-(1-adamantyl)acetyl]amino]-4-methylphenoxy]ethyl-methylazanium Traditional Name: 2-[3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-phenoxy]ethyl-methyl-ammonium Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC[NH2+]C)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C=C(C=C1)OCC[NH2+]C)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H32N2O2/c1-15-3-4-19(26-6-5-23-2)10-20(15)24-21(25)14-22-11-16-7-17(12-22)9-18(8-16)13-22/h3-4,10,16-18,23H,5-9,11-14H2,1-2H3,(H,24,25)/p+1