1-methyl-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(3-nitro-4-pyrrolidin-1-yl-phenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[3-nitro-4-(1-pyrrolidinyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(3-nitro-4-pyrrolidino-phenyl)sulfonyl-piperazin-1-ium Formula: C15H23N4O4S+ MolecularWeight: 355.43252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O4S/c1-16-8-10-18(11-9-16)24(22,23)13-4-5-14(15(12-13)19(20)21)17-6-2-3-7-17/h4-5,12H,2-3,6-11H2,1H3/p+1