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

Systemtic Name: 1-methyl-4-[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[4-(3-methylphenoxy)-3-nitrophenyl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-(3-methylphenoxy)-3-nitro-phenyl]sulfonyl-piperazin-1-ium Formula: C18H22N3O5S+ MolecularWeight: 392.44938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-14-4-3-5-15(12-14)26-18-7-6-16(13-17(18)21(22)23)27(24,25)20-10-8-19(2)9-11-20/h3-7,12-13H,8-11H2,1-2H3/p+1