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

Systemtic Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazin-1-ium-1-yl]ethanol Formula: C17H27N4O5S+ MolecularWeight: 399.48508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCO)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O5S/c22-13-12-18-8-10-19(11-9-18)16-5-4-15(14-17(16)21(23)24)27(25,26)20-6-2-1-3-7-20/h4-5,14,22H,1-3,6-13H2/p+1