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

Systemtic Name: 3-[3-[2-(1-adamantyl)ethanoylamino]-4-methyl-phenoxy]propyl-dimethyl-azanium Openeye Name: 3-[3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-phenoxy]propyl-dimethyl-ammonium CAS Name: 3-[3-[[2-(1-adamantyl)-1-oxoethyl]amino]-4-methylphenoxy]propyl-dimethylammonium IUPAC Name: 3-[3-[[2-(1-adamantyl)acetyl]amino]-4-methylphenoxy]propyl-dimethylazanium Traditional Name: 3-[3-[[2-(1-adamantyl)acetyl]amino]-4-methyl-phenoxy]propyl-dimethyl-ammonium Formula: C24H37N2O2+ MolecularWeight: 385.56278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O2/c1-17-5-6-21(28-8-4-7-26(2)3)12-22(17)25-23(27)16-24-13-18-9-19(14-24)11-20(10-18)15-24/h5-6,12,18-20H,4,7-11,13-16H2,1-3H3,(H,25,27)/p+1