N-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline; methyl sulfate

Systemtic Name: N-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline; methyl sulfate Openeye Name: N-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)vinyl]aniline; methyl sulfate CAS Name: N-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline; methyl sulfate IUPAC Name: N-[(E)-2-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)ethenyl]aniline; methyl sulfate Traditional Name: [(E)-2-(1-methyl-1-pyrrolin-1-ium-2-yl)vinyl]-phenyl-amine; methyl sulfate Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(CCC1)C=CNC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C(CCC1)/C=C/NC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N2.CH4O4S/c1-15-11-5-8-13(15)9-10-14-12-6-3-2-4-7-12;1-5-6(2,3)4/h2-4,6-7,9-10H,5,8,11H2,1H3;1H3,(H,2,3,4)