1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine

Systemtic Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine Openeye Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]-4-methylsulfonyl-piperazine CAS Name: 1-[3-(4-methyl-1-piperazin-4-iumyl)-4-nitrophenyl]-4-methylsulfonylpiperazine IUPAC Name: 1-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitrophenyl]-4-methylsulfonylpiperazine Traditional Name: 1-mesyl-4-[3-(4-methylpiperazin-4-ium-1-yl)-4-nitro-phenyl]piperazine Formula: C16H26N5O4S+ MolecularWeight: 384.47374

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C16H25N5O4S/c1-17-5-7-19(8-6-17)16-13-14(3-4-15(16)21(22)23)18-9-11-20(12-10-18)26(2,24)25/h3-4,13H,5-12H2,1-2H3/p+1