dimethyl 4-pyrrolidin-1-ium-1-ylheptanedioate

Systemtic Name: dimethyl 4-pyrrolidin-1-ium-1-ylheptanedioate Openeye Name: dimethyl 4-pyrrolidin-1-ium-1-ylheptanedioate CAS Name: 4-(1-pyrrolidin-1-iumyl)heptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-pyrrolidin-1-ium-1-ylheptanedioate Traditional Name: 4-pyrrolidin-1-ium-1-ylpimelic acid dimethyl ester Formula: C13H24NO4+ MolecularWeight: 258.33396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)[NH+]1CCCC1

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)[NH+]1CCCC1

InChI

InChI=1S/C13H23NO4/c1-17-12(15)7-5-11(6-8-13(16)18-2)14-9-3-4-10-14/h11H,3-10H2,1-2H3/p+1