1,3-dimethyl-1,2-dihydroperimidin-1-ium-6-sulfonate

Systemtic Name: 1,3-dimethyl-1,2-dihydroperimidin-1-ium-6-sulfonate Openeye Name: 1,3-dimethyl-1,2-dihydroperimidin-1-ium-6-sulfonate CAS Name: 1,3-dimethyl-1,2-dihydroperimidin-1-ium-6-sulfonate IUPAC Name: 1,3-dimethyl-1,2-dihydroperimidin-1-ium-6-sulfonate Traditional Name: 1,3-dimethyl-1,2-dihydroperimidin-1-ium-6-sulfonate Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CN(C2=C3C1=CC=CC3=C(C=C2)S(=O)(=O)[O-])C

Isomeric SMILES

C[NH+]1CN(C2=C3C1=CC=CC3=C(C=C2)S(=O)(=O)[O-])C

InChI

InChI=1S/C13H14N2O3S/c1-14-8-15(2)11-6-7-12(19(16,17)18)9-4-3-5-10(14)13(9)11/h3-7H,8H2,1-2H3,(H,16,17,18)