ethyl 1-[5-(4-ethoxycarbonylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[5-(4-ethoxycarbonylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-4-carboxylate Openeye Name: ethyl 1-[5-(4-ethoxycarbonylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-4-carboxylate CAS Name: 1-[5-(4-ethoxycarbonyl-1-pyridin-1-iumyl)pentyl]-4-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-(4-ethoxycarbonylpyridin-1-ium-1-yl)pentyl]pyridin-1-ium-4-carboxylate Traditional Name: 1-[5-(4-carbethoxypyridin-1-ium-1-yl)pentyl]pyridin-1-ium-4-carboxylic acid ethyl ester Formula: C21H28N2O4+2 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=[N+](C=C1)CCCCC[N+]2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=[N+](C=C1)CCCCC[N+]2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H28N2O4/c1-3-26-20(24)18-8-14-22(15-9-18)12-6-5-7-13-23-16-10-19(11-17-23)21(25)27-4-2/h8-11,14-17H,3-7,12-13H2,1-2H3/q+2