1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-ium

Systemtic Name: 1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)piperazin-1-ium Openeye Name: 1-[(2-fluorophenyl)methyl]-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-ium CAS Name: 1-[(2-fluorophenyl)methyl]-4-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]piperazin-1-ium IUPAC Name: 1-[(2-fluorophenyl)methyl]-4-(2-nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-ium Traditional Name: 1-(2-fluorobenzyl)-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazin-1-ium Formula: C22H28FN4O4S+ MolecularWeight: 463.545523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4F)[N+](=O)[O-]

InChI

InChI=1S/C22H27FN4O4S/c23-20-7-3-2-6-18(20)17-24-12-14-25(15-13-24)21-9-8-19(16-22(21)27(28)29)32(30,31)26-10-4-1-5-11-26/h2-3,6-9,16H,1,4-5,10-15,17H2/p+1