1-(2-cyanophenyl)-N-methyl-N-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]methanesulfonamide

Systemtic Name: 1-(2-cyanophenyl)-N-methyl-N-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]methanesulfonamide Openeye Name: 1-(2-cyanophenyl)-N-methyl-N-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]methanesulfonamide CAS Name: 1-(2-cyanophenyl)-N-methyl-N-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]methanesulfonamide IUPAC Name: 1-(2-cyanophenyl)-N-methyl-N-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]methanesulfonamide Traditional Name: 1-(2-cyanophenyl)-N-methyl-N-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]methanesulfonamide Formula: C20H24N5O4S+ MolecularWeight: 430.50066

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Descriptors Computed from Structure

Canonical SMILES:

CN(C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3C#N

Isomeric SMILES

CN(C[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N5O4S/c1-22(30(28,29)15-18-5-3-2-4-17(18)14-21)16-23-10-12-24(13-11-23)19-6-8-20(9-7-19)25(26)27/h2-9H,10-13,15-16H2,1H3/p+1