cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]pyridin-1-ium-3-carboxylate

Systemtic Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxidanylidene-propyl]pyridin-1-ium-3-carboxylate Openeye Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxo-propyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]-2-oxopropyl]-3-pyridin-1-iumcarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]-2-oxopropyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]-2-keto-propyl]pyridin-1-ium-3-carboxylic acid cyclohexyl ester Formula: C21H25N3O4+2 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=C[N+](=CC=C2)CC(=O)C[N+]3=CC=CC(=C3)C=NO

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=C[N+](=CC=C2)CC(=O)C[N+]3=CC=CC(=C3)/C=N/O

InChI

InChI=1S/C21H24N3O4/c25-19(15-23-10-4-6-17(13-23)12-22-27)16-24-11-5-7-18(14-24)21(26)28-20-8-2-1-3-9-20/h4-7,10-14,20H,1-3,8-9,15-16H2/q+1/p+1/b22-12+