3-chloranyl-4-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide

Systemtic Name: 3-chloranyl-4-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Openeye Name: 3-chloro-4-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide CAS Name: 3-chloro-4-methyl-5-nitro-N-(4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 3-chloro-4-methyl-5-nitro-N-piperidin-1-ium-4-ylbenzenesulfonamide Traditional Name: 3-chloro-4-methyl-5-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Formula: C12H17ClN3O4S+ MolecularWeight: 334.79908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)NC2CC[NH2+]CC2)Cl

InChI

InChI=1S/C12H16ClN3O4S/c1-8-11(13)6-10(7-12(8)16(17)18)21(19,20)15-9-2-4-14-5-3-9/h6-7,9,14-15H,2-5H2,1H3/p+1