N-tert-butyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide Openeye Name: N-tert-butyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide CAS Name: N-tert-butyl-4-[3-(4-methyl-1-piperidin-1-iumyl)propylamino]-3-nitrobenzenesulfonamide IUPAC Name: N-tert-butyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitrobenzenesulfonamide Traditional Name: N-tert-butyl-4-[3-(4-methylpiperidin-1-ium-1-yl)propylamino]-3-nitro-benzenesulfonamide Formula: C19H33N4O4S+ MolecularWeight: 413.55472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CC[NH+](CC1)CCCNC2=C(C=C(C=C2)S(=O)(=O)NC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C19H32N4O4S/c1-15-8-12-22(13-9-15)11-5-10-20-17-7-6-16(14-18(17)23(24)25)28(26,27)21-19(2,3)4/h6-7,14-15,20-21H,5,8-13H2,1-4H3/p+1