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

Systemtic Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate Openeye Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate CAS Name: 1-[3-[3-[(E)-hydroxyiminomethyl]-1-pyridin-1-iumyl]propyl]-3-pyridin-1-iumcarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 1-[3-[3-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylate Traditional Name: 1-[3-[3-[(E)-hydroximinomethyl]pyridin-1-ium-1-yl]propyl]pyridin-1-ium-3-carboxylic acid cyclohexyl ester Formula: C21H27N3O3+2 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N3O3/c25-21(27-20-9-2-1-3-10-20)19-8-5-12-24(17-19)14-6-13-23-11-4-7-18(16-23)15-22-26/h4-5,7-8,11-12,15-17,20H,1-3,6,9-10,13-14H2/q+1/p+1/b22-15+