1-methyl-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-(4-phenoxyphenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(4-phenoxyphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-(4-phenoxyphenyl)sulfonyl-piperazin-1-ium Formula: C17H21N2O3S+ MolecularWeight: 333.42524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C17H20N2O3S/c1-18-11-13-19(14-12-18)23(20,21)17-9-7-16(8-10-17)22-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3/p+1