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

Systemtic Name: 3-chloranyl-4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide CAS Name: 3-chloro-4-methyl-N-[3-(4-methyl-1-piperidin-1-iumyl)propyl]-5-nitrobenzenesulfonamide IUPAC Name: 3-chloro-4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitrobenzenesulfonamide Traditional Name: 3-chloro-4-methyl-N-[3-(4-methylpiperidin-1-ium-1-yl)propyl]-5-nitro-benzenesulfonamide Formula: C16H25ClN3O4S+ MolecularWeight: 390.9054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24ClN3O4S/c1-12-4-8-19(9-5-12)7-3-6-18-25(23,24)14-10-15(17)13(2)16(11-14)20(21)22/h10-12,18H,3-9H2,1-2H3/p+1