N,2,5-trimethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-3-sulfonamide

Systemtic Name: N,2,5-trimethyl-N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-3-sulfonamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-N,2,5-trimethyl-thiophene-3-sulfonamide CAS Name: N,2,5-trimethyl-N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-3-thiophenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-N,2,5-trimethylthiophene-3-sulfonamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-N,2,5-trimethyl-thiophene-3-sulfonamide Formula: C20H28N3O3S2+ MolecularWeight: 422.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(S1)C)S(=O)(=O)N(C)CC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O3S2/c1-16-13-19(17(2)27-16)28(25,26)21(3)15-20(24)23-11-9-22(10-12-23)14-18-7-5-4-6-8-18/h4-8,13H,9-12,14-15H2,1-3H3/p+1