4-[3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[3-nitro-4-(4-pyridin-1-ium-2-ylpiperazino)phenyl]sulfonylmorpholine Formula: C19H24N5O5S+ MolecularWeight: 434.48936

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-])C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H23N5O5S/c25-24(26)18-15-16(30(27,28)23-11-13-29-14-12-23)4-5-17(18)21-7-9-22(10-8-21)19-3-1-2-6-20-19/h1-6,15H,7-14H2/p+1