1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; 4-carboxybenzoate

Systemtic Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; 4-carboxybenzoate Openeye Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; 4-carboxybenzoate CAS Name: 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium; 4-carboxybenzoate IUPAC Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; 4-carboxybenzoate Traditional Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; 4-carboxybenzoate Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CC2CCCN2.C1=CC(=CC=C1C(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)C[C@@H]2CCCN2.C1=CC(=CC=C1C(=O)O)C(=O)[O-]

InChI

InChI=1S/C12H22N3.C8H6O4/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;9-7(10)5-1-2-6(4-3-5)8(11)12/h8-9,11-13H,2-7,10H2,1H3;1-4H,(H,9,10)(H,11,12)/q+1;/p-1/t12-;/m0./s1