2-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(2-morpholin-4-ylsulfonyl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-morpholinosulfonyl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-(4-morpholinylsulfonyl)-4-nitrophenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-morpholin-4-ylsulfonyl-4-nitrophenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-morpholinosulfonyl-4-nitro-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C16H25N4O6S+ MolecularWeight: 401.4579

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H24N4O6S/c21-10-7-17-3-5-18(6-4-17)15-2-1-14(20(22)23)13-16(15)27(24,25)19-8-11-26-12-9-19/h1-2,13,21H,3-12H2/p+1