4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxamide

Systemtic Name: 4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylthiophene-2-carboxamide Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxamide CAS Name: 4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-2-thiophenecarboxamide IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxamide Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)sulfonylthiophene-2-carboxamide Formula: C16H20N3O3S2+ MolecularWeight: 366.4783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CSC(=C3)C(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)S(=O)(=O)C3=CSC(=C3)C(=O)N

InChI

InChI=1S/C16H19N3O3S2/c17-16(20)15-10-14(12-23-15)24(21,22)19-8-6-18(7-9-19)11-13-4-2-1-3-5-13/h1-5,10,12H,6-9,11H2,(H2,17,20)/p+1