N,N-dimethyl-1-(phenylmethyl)-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate

Systemtic Name: N,N-dimethyl-1-(phenylmethyl)-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate Openeye Name: 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate CAS Name: N,N-dimethyl-1-(phenylmethyl)-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate IUPAC Name: 1-benzyl-N,N-dimethyl-2,3-dihydro-1H-pyrrol-1-ium-5-amine; methyl sulfate Traditional Name: (1-benzyl-2-pyrrolin-1-ium-2-yl)-dimethyl-amine; methyl sulfate Formula: C14H22N2O4S MolecularWeight: 314.40048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CCC[NH+]1CC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C1=CCC[NH+]1CC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H18N2.CH4O4S/c1-14(2)13-9-6-10-15(13)11-12-7-4-3-5-8-12;1-5-6(2,3)4/h3-5,7-9H,6,10-11H2,1-2H3;1H3,(H,2,3,4)