2-ethyl-1-methoxycarbonyl-3-(3-methylbutylamino)pyrrolidin-1-ium-1,2-dicarboxylic acid

Systemtic Name: 2-ethyl-1-methoxycarbonyl-3-(3-methylbutylamino)pyrrolidin-1-ium-1,2-dicarboxylic acid Openeye Name: 2-ethyl-3-(isopentylamino)-1-methoxycarbonyl-pyrrolidin-1-ium-1,2-dicarboxylic acid CAS Name: 2-ethyl-1-methoxycarbonyl-3-(3-methylbutylamino)pyrrolidin-1-ium-1,2-dicarboxylic acid IUPAC Name: 2-ethyl-1-methoxycarbonyl-3-(3-methylbutylamino)pyrrolidin-1-ium-1,2-dicarboxylic acid Traditional Name: 1-carbomethoxy-2-ethyl-3-(isoamylamino)pyrrolidin-1-ium-1,2-dicarboxylic acid Formula: C15H27N2O6+ MolecularWeight: 331.38468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(CC[N+]1(C(=O)O)C(=O)OC)NCCC(C)C)C(=O)O

Isomeric SMILES

CCC1(C(CC[N+]1(C(=O)O)C(=O)OC)NCCC(C)C)C(=O)O

InChI

InChI=1S/C15H26N2O6/c1-5-15(12(18)19)11(16-8-6-10(2)3)7-9-17(15,13(20)21)14(22)23-4/h10-11,16H,5-9H2,1-4H3,(H-,18,19,20,21)/p+1