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

Systemtic Name: 2-adamantyl N-[1-[1-hydroxyethyl(phenethyl)amino]-2-methyl-3-(1-oxidanidylpyridin-1-ium-4-yl)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: 2-adamantyl N-[2-[1-hydroxyethyl(phenethyl)amino]-1-methyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-oxo-ethyl]carbamate CAS Name: N-[1-[1-hydroxyethyl(phenethyl)amino]-2-methyl-3-(1-oxido-4-pyridin-1-iumyl)-1-oxopropan-2-yl]carbamic acid 2-adamantyl ester IUPAC Name: 2-adamantyl N-[1-[1-hydroxyethyl(phenethyl)amino]-2-methyl-3-(1-oxidopyridin-1-ium-4-yl)-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-[1-hydroxyethyl(phenethyl)amino]-2-keto-1-methyl-1-[(1-oxidopyridin-1-ium-4-yl)methyl]ethyl]carbamic acid 2-adamantyl ester Formula: C30H39N3O5 MolecularWeight: 521.64776

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Descriptors Computed from Structure

Canonical SMILES:

CC(N(CCC1=CC=CC=C1)C(=O)C(C)(CC2=CC=[N+](C=C2)[O-])NC(=O)OC3C4CC5CC(C4)CC3C5)O

Isomeric SMILES

CC(N(CCC1=CC=CC=C1)C(=O)C(C)(CC2=CC=[N+](C=C2)[O-])NC(=O)OC3C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C30H39N3O5/c1-20(34)33(13-10-21-6-4-3-5-7-21)28(35)30(2,19-22-8-11-32(37)12-9-22)31-29(36)38-27-25-15-23-14-24(17-25)18-26(27)16-23/h3-9,11-12,20,23-27,34H,10,13-19H2,1-2H3,(H,31,36)