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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C[N+](=CC=C1)[O-])(C(=O)NCCC2=CC=CC=C2)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=C[N+](=CC=C1)[O-])(C(=O)NCCC2=CC=CC=C2)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C28H35N3O4/c1-28(17-20-8-5-11-31(34)18-20,26(32)29-10-9-19-6-3-2-4-7-19)30-27(33)35-25-23-13-21-12-22(15-23)16-24(25)14-21/h2-8,11,18,21-25H,9-10,12-17H2,1H3,(H,29,32)(H,30,33)