1-adamantyl-methyl-[2-(2-methylphenyl)carbonyloxyethyl]azanium

Systemtic Name: 1-adamantyl-methyl-[2-(2-methylphenyl)carbonyloxyethyl]azanium Openeye Name: 1-adamantyl-methyl-[2-(2-methylbenzoyl)oxyethyl]ammonium CAS Name: 1-adamantyl-methyl-[2-[(2-methylphenyl)-oxomethoxy]ethyl]ammonium IUPAC Name: 1-adamantyl-methyl-[2-(2-methylbenzoyl)oxyethyl]azanium Traditional Name: 1-adamantyl-methyl-(2-o-toluoyloxyethyl)ammonium Formula: C21H30NO2+ MolecularWeight: 328.4684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC[NH+](C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC[NH+](C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H29NO2/c1-15-5-3-4-6-19(15)20(23)24-8-7-22(2)21-12-16-9-17(13-21)11-18(10-16)14-21/h3-6,16-18H,7-14H2,1-2H3/p+1