1-methyl-4-[3-nitro-4-(3-propan-2-ylphenoxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-nitro-4-(3-propan-2-ylphenoxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[4-(3-isopropylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[3-nitro-4-(3-propan-2-ylphenoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[3-nitro-4-(3-propan-2-ylphenoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[4-(3-isopropylphenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C20H26N3O5S+ MolecularWeight: 420.50254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H25N3O5S/c1-15(2)16-5-4-6-17(13-16)28-20-8-7-18(14-19(20)23(24)25)29(26,27)22-11-9-21(3)10-12-22/h4-8,13-15H,9-12H2,1-3H3/p+1