[6-(1-oxidanidylpyridin-1-ium-3-yl)-2-adamantyl] N-[2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: [6-(1-oxidanidylpyridin-1-ium-3-yl)-2-adamantyl] N-[2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: [6-(1-oxidopyridin-1-ium-3-yl)-2-adamantyl] N-[1,1-dimethyl-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamic acid [6-(1-oxido-3-pyridin-1-iumyl)-2-adamantyl] ester IUPAC Name: [6-(1-oxidopyridin-1-ium-3-yl)-2-adamantyl] N-[2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[2-keto-1,1-dimethyl-2-(phenethylamino)ethyl]carbamic acid [6-(1-oxidopyridin-1-ium-3-yl)-2-adamantyl] ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCC1=CC=CC=C1)NC(=O)OC2C3CC4CC2CC(C3)C4C5=C[N+](=CC=C5)[O-]

Isomeric SMILES

CC(C)(C(=O)NCCC1=CC=CC=C1)NC(=O)OC2C3CC4CC2CC(C3)C4C5=C[N+](=CC=C5)[O-]

InChI

InChI=1S/C28H35N3O4/c1-28(2,26(32)29-11-10-18-7-4-3-5-8-18)30-27(33)35-25-22-13-20-14-23(25)16-21(15-22)24(20)19-9-6-12-31(34)17-19/h3-9,12,17,20-25H,10-11,13-16H2,1-2H3,(H,29,32)(H,30,33)