(2R)-1-[(2S)-3-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoyl]pyrrolidine-2-carboxylate Openeye Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(1-methyl-4-piperidin-1-iumyl)amino]-1-oxobutyl]-2-pyrrolidinecarboxylate IUPAC Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2S)-3-methyl-2-[methyl-(1-methylpiperidin-1-ium-4-yl)amino]butanoyl]pyrrolidine-2-carboxylate Formula: C17H31N3O3 MolecularWeight: 325.44634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)[O-])N(C)C2CC[NH+](CC2)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N(C)C2CC[NH+](CC2)C

InChI

InChI=1S/C17H31N3O3/c1-12(2)15(19(4)13-7-10-18(3)11-8-13)16(21)20-9-5-6-14(20)17(22)23/h12-15H,5-11H2,1-4H3,(H,22,23)/t14-,15+/m1/s1