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

Systemtic Name: hydrogen sulfate; 1-octyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Openeye Name: hydrogen sulfate; 1-octyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium CAS Name: hydrogen sulfate; 1-octyl-3-[[(2S)-2-pyrrolidinyl]methyl]imidazol-3-ium IUPAC Name: hydrogen sulfate; 1-octyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium Traditional Name: 1-octyl-3-[[(2S)-pyrrolidin-2-yl]methyl]imidazol-3-ium bisulfate Formula: C16H31N3O4S MolecularWeight: 361.50004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C=C[N+](=C1)CC2CCCN2.OS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCN1C=C[N+](=C1)C[C@@H]2CCCN2.OS(=O)(=O)[O-]

InChI

InChI=1S/C16H30N3.H2O4S/c1-2-3-4-5-6-7-11-18-12-13-19(15-18)14-16-9-8-10-17-16;1-5(2,3)4/h12-13,15-17H,2-11,14H2,1H3;(H2,1,2,3,4)/q+1;/p-1/t16-;/m0./s1