1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; (2S)-1-methylpyrrolidine-2-carboxylate

Systemtic Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; (2S)-1-methylpyrrolidine-2-carboxylate Openeye Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; (2S)-1-methylpyrrolidine-2-carboxylate CAS Name: 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium; (2S)-1-methyl-2-pyrrolidinecarboxylate IUPAC Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; (2S)-1-methylpyrrolidine-2-carboxylate Traditional Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; (2S)-1-methylpyrrolidine-2-carboxylate Formula: C18H32N4O2 MolecularWeight: 336.47228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2CCCN2.CN1CCCC1C(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@@H]2CCCN2.CN1CCC[C@H]1C(=O)[O-]

InChI

InChI=1S/C12H22N3.C6H11NO2/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;1-7-4-2-3-5(7)6(8)9/h8-9,11-13H,2-7,10H2,1H3;5H,2-4H2,1H3,(H,8,9)/q+1;/p-1/t12-;5-/m00/s1