2-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide Formula: C16H26N3O4S+ MolecularWeight: 356.46034

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1CC[NH+](CC1)CCCNS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H25N3O4S/c1-13-6-10-18(11-7-13)9-3-8-17-24(22,23)16-12-15(19(20)21)5-4-14(16)2/h4-5,12-13,17H,3,6-11H2,1-2H3/p+1