N,N-diethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)benzenesulfonamide Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C3=CC=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-3-23(4-2)29(27,28)16-8-9-17(18(15-16)24(25)26)21-11-13-22(14-12-21)19-7-5-6-10-20-19/h5-10,15H,3-4,11-14H2,1-2H3/p+1