3-(2-piperidin-1-ium-1-ylphenyl)azanidylsulfonylthiophene-2-carboxylate

Systemtic Name: 3-(2-piperidin-1-ium-1-ylphenyl)azanidylsulfonylthiophene-2-carboxylate Openeye Name: 3-(2-piperidin-1-ium-1-ylphenyl)azanidylsulfonylthiophene-2-carboxylate CAS Name: 3-[2-(1-piperidin-1-iumyl)phenyl]azanidylsulfonyl-2-thiophenecarboxylate IUPAC Name: 3-(2-piperidin-1-ium-1-ylphenyl)azanidylsulfonylthiophene-2-carboxylate Traditional Name: 3-(2-piperidin-1-ium-1-ylphenyl)azanidylsulfonyl-2-thenoate Formula: C16H17N2O4S2- MolecularWeight: 365.44718

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=CC=CC=C2[N-]S(=O)(=O)C3=C(SC=C3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)C2=CC=CC=C2[N-]S(=O)(=O)C3=C(SC=C3)C(=O)[O-]

InChI

InChI=1S/C16H17N2O4S2/c19-16(20)15-14(8-11-23-15)24(21,22)17-12-6-2-3-7-13(12)18-9-4-1-5-10-18/h2-3,6-8,11H,1,4-5,9-10H2,(H,19,20)/q-1