1-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(1-adamantylcarbamoylamino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(1-adamantylcarbamoylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(1-adamantylcarbamoylamino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC=CC(=C4)C(=O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)C[N+]4=CC=CC(=C4)C(=O)N

InChI

InChI=1S/C19H24N4O3/c20-17(25)15-2-1-3-23(10-15)11-16(24)21-18(26)22-19-7-12-4-13(8-19)6-14(5-12)9-19/h1-3,10,12-14H,4-9,11H2,(H3-,20,21,22,24,25,26)/p+1