4-methoxy-3-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide

Systemtic Name: 4-methoxy-3-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Openeye Name: 4-methoxy-3-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide CAS Name: 4-methoxy-3-nitro-N-(4-piperidin-1-iumyl)benzenesulfonamide IUPAC Name: 4-methoxy-3-nitro-N-piperidin-1-ium-4-ylbenzenesulfonamide Traditional Name: 4-methoxy-3-nitro-N-piperidin-1-ium-4-yl-benzenesulfonamide Formula: C12H18N3O5S+ MolecularWeight: 316.35342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC[NH2+]CC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2CC[NH2+]CC2)[N+](=O)[O-]

InChI

InChI=1S/C12H17N3O5S/c1-20-12-3-2-10(8-11(12)15(16)17)21(18,19)14-9-4-6-13-7-5-9/h2-3,8-9,13-14H,4-7H2,1H3/p+1