N,N-diethyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: N,N-diethyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(1H-imidazo[1,2-a]pyridin-4-ium-2-ylmethyl)piperazino]-3-nitro-benzenesulfonamide Formula: C22H29N6O4S+ MolecularWeight: 473.56846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C[N+]4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N6O4S/c1-3-27(4-2)33(31,32)19-8-9-20(21(15-19)28(29)30)25-13-11-24(12-14-25)16-18-17-26-10-6-5-7-22(26)23-18/h5-10,15,17H,3-4,11-14,16H2,1-2H3/p+1