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

Systemtic Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; hydrogen sulfate Openeye Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; hydrogen sulfate CAS Name: 1-butyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium; hydrogen sulfate IUPAC Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium; hydrogen sulfate Traditional Name: 1-butyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium bisulfate Formula: C12H23N3O4S MolecularWeight: 305.39372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N3.H2O4S/c1-2-3-7-14-8-9-15(11-14)10-12-5-4-6-13-12;1-5(2,3)4/h8-9,11-13H,2-7,10H2,1H3;(H2,1,2,3,4)/q+1;/p-1/t12-;/m0./s1