1-ethyl-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium

Systemtic Name: 1-ethyl-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium Openeye Name: 1-ethyl-4-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)piperazin-1-ium CAS Name: 1-ethyl-4-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)piperazin-1-ium Traditional Name: 1-ethyl-4-(2-nitro-4-pyrrolidinosulfonyl-phenyl)piperazin-1-ium Formula: C16H25N4O4S+ MolecularWeight: 369.4591

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O4S/c1-2-17-9-11-18(12-10-17)15-6-5-14(13-16(15)20(21)22)25(23,24)19-7-3-4-8-19/h5-6,13H,2-4,7-12H2,1H3/p+1