4-[3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-nitro-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]phenyl]sulfonylmorpholine Formula: C20H26N5O5S+ MolecularWeight: 448.51594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C(C=C(C=C3)S(=O)(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O5S/c26-25(27)20-14-18(31(28,29)24-10-12-30-13-11-24)3-4-19(20)23-8-6-22(7-9-23)16-17-2-1-5-21-15-17/h1-5,14-15H,6-13,16H2/p+1