N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-acetamide CAS Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-[(3-methoxyphenyl)methyl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantyl)-N-m-anisyl-2-[(1-oxidopyridin-1-ium-2-yl)thio]acetamide Formula: C25H30N2O3S MolecularWeight: 438.5823

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN(C(=O)CSC2=CC=CC=[N+]2[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=CC(=C1)CN(C(=O)CSC2=CC=CC=[N+]2[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H30N2O3S/c1-30-22-6-4-5-18(12-22)16-26(23(28)17-31-24-7-2-3-8-27(24)29)25-13-19-9-20(14-25)11-21(10-19)15-25/h2-8,12,19-21H,9-11,13-17H2,1H3