2-adamantyl N-[2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: 2-adamantyl N-[2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[1-methyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-[2-methyl-3-(1-oxido-4-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-4-yl)-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-[2-keto-1-methyl-1-[(1-oxidopyridin-1-ium-4-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=CC=[N+](C=C1)[O-])(C(=O)NCCC2=CC=CC=C2)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

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

InChI

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