1-(2,3-dihydro-1H-inden-2-yl)-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-indan-2-yl-piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-(2,3-dihydro-1H-inden-2-yl)piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-indan-2-yl-piperazin-4-ium Formula: C20H25N2O2S+ MolecularWeight: 357.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H24N2O2S/c23-25(24,16-17-6-2-1-3-7-17)22-12-10-21(11-13-22)20-14-18-8-4-5-9-19(18)15-20/h1-9,20H,10-16H2/p+1