1-methyl-4-[3-nitro-4-(4-phenethylpiperazin-4-ium-1-yl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-nitro-4-(4-phenethylpiperazin-4-ium-1-yl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[3-nitro-4-(4-phenethylpiperazin-4-ium-1-yl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[3-nitro-4-(4-phenethyl-1-piperazin-4-iumyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[3-nitro-4-(4-phenethylpiperazin-4-ium-1-yl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[3-nitro-4-(4-phenethylpiperazin-4-ium-1-yl)phenyl]sulfonyl-piperazin-1-ium Formula: C23H33N5O4S+2 MolecularWeight: 475.60422

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O4S/c1-24-11-17-27(18-12-24)33(31,32)21-7-8-22(23(19-21)28(29)30)26-15-13-25(14-16-26)10-9-20-5-3-2-4-6-20/h2-8,19H,9-18H2,1H3/p+2