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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-27-20-7-9-22(28-2)19(14-20)16-23-10-12-24(13-11-23)29(25,26)21-8-6-17-4-3-5-18(17)15-21/h6-9,14-15H,3-5,10-13,16H2,1-2H3/p+1