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

Systemtic Name: 2-adamantyl N-[2-methyl-3-(1-oxidanidylpyridin-1-ium-2-yl)-1-oxidanylidene-1-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-1-methyl-1-[(1-oxidopyridin-1-ium-2-yl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-3-(1-oxido-2-pyridin-1-iumyl)-1-oxopropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[1-[(1-hydroxy-3-phenylpropan-2-yl)amino]-2-methyl-3-(1-oxidopyridin-1-ium-2-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[(1-benzyl-2-hydroxy-ethyl)amino]-2-keto-1-methyl-1-[(1-oxidopyridin-1-ium-2-yl)methyl]ethyl]carbamic acid 2-adamantyl ester Formula: C29H37N3O5 MolecularWeight: 507.62118

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=[N+]1[O-])(C(=O)NC(CC2=CC=CC=C2)CO)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CC=CC=[N+]1[O-])(C(=O)NC(CC2=CC=CC=C2)CO)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C29H37N3O5/c1-29(17-25-9-5-6-10-32(25)36,27(34)30-24(18-33)16-19-7-3-2-4-8-19)31-28(35)37-26-22-12-20-11-21(14-22)15-23(26)13-20/h2-10,20-24,26,33H,11-18H2,1H3,(H,30,34)(H,31,35)