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

Systemtic Name: 3-nitro-4-[(6-piperidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide Openeye Name: 3-nitro-4-[[6-(1-piperidyl)pyridin-1-ium-3-yl]amino]benzenesulfonamide CAS Name: 3-nitro-4-[[6-(1-piperidinyl)-3-pyridin-1-iumyl]amino]benzenesulfonamide IUPAC Name: 3-nitro-4-[(6-piperidin-1-ylpyridin-1-ium-3-yl)amino]benzenesulfonamide Traditional Name: 3-nitro-4-[(6-piperidinopyridin-1-ium-3-yl)amino]benzenesulfonamide Formula: C16H20N5O4S+ MolecularWeight: 378.4261

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=[NH+]C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c17-26(24,25)13-5-6-14(15(10-13)21(22)23)19-12-4-7-16(18-11-12)20-8-2-1-3-9-20/h4-7,10-11,19H,1-3,8-9H2,(H2,17,24,25)/p+1