N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitro-benzenesulfonamide Openeye Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitro-benzenesulfonamide CAS Name: N-[[4-[(4-methyl-1-piperidin-1-iumyl)methyl]phenyl]methyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]phenyl]methyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[(4-methylpiperidin-1-ium-1-yl)methyl]benzyl]-2-nitro-benzenesulfonamide Formula: C20H26N3O4S+ MolecularWeight: 404.50314

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CC2=CC=C(C=C2)CNS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O4S/c1-16-10-12-22(13-11-16)15-18-8-6-17(7-9-18)14-21-28(26,27)20-5-3-2-4-19(20)23(24)25/h2-9,16,21H,10-15H2,1H3/p+1