(E)-3-[1-[3-(dimethylazaniumyl)propyl]pyrrol-2-yl]prop-2-enoate

Systemtic Name: (E)-3-[1-[3-(dimethylazaniumyl)propyl]pyrrol-2-yl]prop-2-enoate Openeye Name: (E)-3-[1-[3-(dimethylammonio)propyl]pyrrol-2-yl]prop-2-enoate CAS Name: (E)-3-[1-[3-(dimethylammonio)propyl]-2-pyrrolyl]-2-propenoate IUPAC Name: (E)-3-[1-[3-(dimethylazaniumyl)propyl]pyrrol-2-yl]prop-2-enoate Traditional Name: (E)-3-[1-[3-(dimethylammonio)propyl]pyrrol-2-yl]acrylate Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C=CC=C1C=CC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCN1C=CC=C1/C=C/C(=O)[O-]

InChI

InChI=1S/C12H18N2O2/c1-13(2)8-4-10-14-9-3-5-11(14)6-7-12(15)16/h3,5-7,9H,4,8,10H2,1-2H3,(H,15,16)/b7-6+