4-[(1-cyanoindolizin-2-yl)methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(1-cyanoindolizin-2-yl)methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[(1-cyanoindolizin-2-yl)methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(1-cyano-2-indolizinyl)methyl]-N,N-dimethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(1-cyanoindolizin-2-yl)methyl]-N,N-dimethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[(1-cyanoindolizin-2-yl)methyl]-N,N-dimethyl-piperazin-4-ium-1-sulfonamide Formula: C16H22N5O2S+ MolecularWeight: 348.44318

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CN(C)S(=O)(=O)N1CC[NH+](CC1)CC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C16H21N5O2S/c1-18(2)24(22,23)21-9-7-19(8-10-21)12-14-13-20-6-4-3-5-16(20)15(14)11-17/h3-6,13H,7-10,12H2,1-2H3/p+1