1-(2-nitrophenyl)-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine

Systemtic Name: 1-(2-nitrophenyl)-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine Openeye Name: 1-(2-nitrophenyl)-N-[4-[3-(1-piperidylsulfonyl)pyridin-1-ium-4-yl]piperazin-1-yl]methanimine CAS Name: 1-(2-nitrophenyl)-N-[4-[3-(1-piperidinylsulfonyl)-4-pyridin-1-iumyl]-1-piperazinyl]methanimine IUPAC Name: 1-(2-nitrophenyl)-N-[4-(3-piperidin-1-ylsulfonylpyridin-1-ium-4-yl)piperazin-1-yl]methanimine Traditional Name: (Z)-(2-nitrobenzylidene)-[4-(3-piperidinosulfonylpyridin-1-ium-4-yl)piperazino]amine Formula: C21H27N6O4S+ MolecularWeight: 459.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=C[NH+]=C2)N3CCN(CC3)N=CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=C[NH+]=C2)N3CCN(CC3)/N=C\C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O4S/c28-27(29)19-7-3-2-6-18(19)16-23-25-14-12-24(13-15-25)20-8-9-22-17-21(20)32(30,31)26-10-4-1-5-11-26/h2-3,6-9,16-17H,1,4-5,10-15H2/p+1/b23-16-