1-[(2S)-5-(diethylazaniumyl)pentan-2-yl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 1-[(2S)-5-(diethylazaniumyl)pentan-2-yl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 1-[(1S)-4-(diethylammonio)-1-methyl-butyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-[(2S)-5-(diethylammonio)pentan-2-yl]-2,5-dimethyl-3-pyrrolecarboxylate IUPAC Name: 1-[(2S)-5-(diethylazaniumyl)pentan-2-yl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-[(1S)-4-(diethylammonio)-1-methyl-butyl]-2,5-dimethyl-pyrrole-3-carboxylate Formula: C16H28N2O2 MolecularWeight: 280.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCC(C)N1C(=CC(=C1C)C(=O)[O-])C

Isomeric SMILES

CC[NH+](CC)CCC[C@H](C)N1C(=CC(=C1C)C(=O)[O-])C

InChI

InChI=1S/C16H28N2O2/c1-6-17(7-2)10-8-9-12(3)18-13(4)11-15(14(18)5)16(19)20/h11-12H,6-10H2,1-5H3,(H,19,20)/t12-/m0/s1