1-[2-(3,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium

Systemtic Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylsulfonyl-piperazin-1-ium Openeye Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-thienylsulfonyl)piperazin-1-ium CAS Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium IUPAC Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-thiophen-2-ylsulfonylpiperazin-1-ium Traditional Name: 1-[2-(3,5-dimethylphenoxy)ethyl]-4-(2-thienylsulfonyl)piperazin-1-ium Formula: C18H25N2O3S2+ MolecularWeight: 381.5327

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CS3)C

InChI

InChI=1S/C18H24N2O3S2/c1-15-12-16(2)14-17(13-15)23-10-9-19-5-7-20(8-6-19)25(21,22)18-4-3-11-24-18/h3-4,11-14H,5-10H2,1-2H3/p+1