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

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide bromide Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide bromide CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-3-pyridin-1-iumcarboxamide bromide IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]pyridin-1-ium-3-carboxamide bromide Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]pyridin-1-ium-3-carboxamide bromide Formula: C18H23BrN2O2 MolecularWeight: 379.29142

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=CC(=C4)C(=O)N.[Br-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=CC(=C4)C(=O)N.[Br-]

InChI

InChI=1S/C18H22N2O2.BrH/c19-17(22)15-2-1-3-20(10-15)11-16(21)18-7-12-4-13(8-18)6-14(5-12)9-18;/h1-3,10,12-14H,4-9,11H2,(H-,19,22);1H