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

Systemtic Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-propyl-piperazin-4-ium Openeye Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonyl-phenyl)-4-propyl-piperazin-4-ium CAS Name: 1-[2-nitro-4-(1-pyrrolidinylsulfonyl)phenyl]-4-propylpiperazin-4-ium IUPAC Name: 1-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)-4-propylpiperazin-4-ium Traditional Name: 1-(2-nitro-4-pyrrolidinosulfonyl-phenyl)-4-propyl-piperazin-4-ium Formula: C17H27N4O4S+ MolecularWeight: 383.48568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4S/c1-2-7-18-10-12-19(13-11-18)16-6-5-15(14-17(16)21(22)23)26(24,25)20-8-3-4-9-20/h5-6,14H,2-4,7-13H2,1H3/p+1