3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide

Systemtic Name: 3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide Openeye Name: 3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide CAS Name: 3-nitro-4-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]amino]benzenesulfonamide IUPAC Name: 3-nitro-4-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide Traditional Name: 3-nitro-4-[(6-pyrrolidinopyridin-1-ium-3-yl)amino]benzenesulfonamide Formula: C15H18N5O4S+ MolecularWeight: 364.39952

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C15H17N5O4S/c16-25(23,24)12-4-5-13(14(9-12)20(21)22)18-11-3-6-15(17-10-11)19-7-1-2-8-19/h3-6,9-10,18H,1-2,7-8H2,(H2,16,23,24)/p+1