1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-indan-5-ylsulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Traditional Name: 1-indan-5-ylsulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium Formula: C22H29N2O4S+ MolecularWeight: 417.54166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H28N2O4S/c1-27-20-6-8-21(9-7-20)28-16-15-23-11-13-24(14-12-23)29(25,26)22-10-5-18-3-2-4-19(18)17-22/h5-10,17H,2-4,11-16H2,1H3/p+1