N-(1-adamantylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propionamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C19H25N3O3S/c1-12(26-16-4-2-3-5-22(16)25)17(23)20-18(24)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H2,20,21,23,24)