4-[3-nitro-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-nitro-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]sulfonylmorpholine Openeye Name: 4-[3-nitro-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]sulfonylmorpholine CAS Name: 4-[3-nitro-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-nitro-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]sulfonylmorpholine Traditional Name: 4-[3-nitro-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]sulfonylmorpholine Formula: C17H26N3O6S+ MolecularWeight: 400.46984

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H25N3O6S/c21-20(22)16-14-15(27(23,24)19-9-11-25-12-10-19)4-5-17(16)26-13-8-18-6-2-1-3-7-18/h4-5,14H,1-3,6-13H2/p+1