1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide

Systemtic Name: 1-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-N-(phenylmethyl)pyridin-1-ium-4-carboxamide Openeye Name: 1-[2-(1-adamantyl)-2-oxo-ethyl]-N-benzyl-pyridin-1-ium-4-carboxamide CAS Name: 1-[2-(1-adamantyl)-2-oxoethyl]-N-(phenylmethyl)-4-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(1-adamantyl)-2-oxoethyl]-N-benzylpyridin-1-ium-4-carboxamide Traditional Name: 1-[2-(1-adamantyl)-2-keto-ethyl]-N-benzyl-pyridin-1-ium-4-carboxamide Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C[N+]4=CC=C(C=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H28N2O2/c28-23(25-13-19-10-20(14-25)12-21(11-19)15-25)17-27-8-6-22(7-9-27)24(29)26-16-18-4-2-1-3-5-18/h1-9,19-21H,10-17H2/p+1