2-[5-(methylamino)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-phenyl-ethanone; methyl sulfate

Systemtic Name: 2-[5-(methylamino)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-phenyl-ethanone; methyl sulfate Openeye Name: 2-[5-(methylamino)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-phenyl-ethanone; methyl sulfate CAS Name: 2-[5-(methylamino)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-phenylethanone; methyl sulfate IUPAC Name: 2-[5-(methylamino)-3,4-dihydro-2H-pyrrol-1-ium-1-yl]-1-phenylethanone; methyl sulfate Traditional Name: 2-[2-(methylamino)-1-pyrrolin-1-ium-1-yl]-1-phenyl-ethanone; methyl sulfate Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=[N+](CCC1)CC(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

CNC1=[N+](CCC1)CC(=O)C2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N2O.CH4O4S/c1-14-13-8-5-9-15(13)10-12(16)11-6-3-2-4-7-11;1-5-6(2,3)4/h2-4,6-7H,5,8-10H2,1H3;1H3,(H,2,3,4)