N,N-diethyl-3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(1-propyl-4-piperidin-1-iumyl)amino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(1-propylpiperidin-1-ium-4-yl)amino]benzenesulfonamide Formula: C18H31N4O4S+ MolecularWeight: 399.52814

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)[N+](=O)[O-]

InChI

InChI=1S/C18H30N4O4S/c1-4-11-20-12-9-15(10-13-20)19-17-8-7-16(14-18(17)22(23)24)27(25,26)21(5-2)6-3/h7-8,14-15,19H,4-6,9-13H2,1-3H3/p+1