2-(3-pyridin-1-ium-1-ylpropanoyloxy)ethyl 3-pyridin-1-ium-1-ylpropanoate dichloride

Systemtic Name: 2-(3-pyridin-1-ium-1-ylpropanoyloxy)ethyl 3-pyridin-1-ium-1-ylpropanoate dichloride Openeye Name: 2-(3-pyridin-1-ium-1-ylpropanoyloxy)ethyl 3-pyridin-1-ium-1-ylpropanoate dichloride CAS Name: 3-(1-pyridin-1-iumyl)propanoic acid 2-[1-oxo-3-(1-pyridin-1-iumyl)propoxy]ethyl ester dichloride IUPAC Name: 2-(3-pyridin-1-ium-1-ylpropanoyloxy)ethyl 3-pyridin-1-ium-1-ylpropanoate dichloride Traditional Name: 3-pyridin-1-ium-1-ylpropionic acid 2-(3-pyridin-1-ium-1-ylpropanoyloxy)ethyl ester dichloride Formula: C18H22Cl2N2O4 MolecularWeight: 401.28428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CCC(=O)OCCOC(=O)CC[N+]2=CC=CC=C2.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CCC(=O)OCCOC(=O)CC[N+]2=CC=CC=C2.[Cl-].[Cl-]

InChI

InChI=1S/C18H22N2O4.2ClH/c21-17(7-13-19-9-3-1-4-10-19)23-15-16-24-18(22)8-14-20-11-5-2-6-12-20;;/h1-6,9-12H,7-8,13-16H2;2*1H/q+2;;/p-2