4-methyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 4-methyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-methyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-methyl-3-nitro-N-[3-(1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-methyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-methyl-3-nitro-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+]2CCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H23N3O4S/c1-13-6-7-14(12-15(13)18(19)20)23(21,22)16-8-5-11-17-9-3-2-4-10-17/h6-7,12,16H,2-5,8-11H2,1H3/p+1