1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-indan-5-ylsulfonyl-piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-ium Traditional Name: 1-indan-5-ylsulfonyl-4-piperonyl-piperazin-4-ium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H24N2O4S/c24-28(25,19-6-5-17-2-1-3-18(17)13-19)23-10-8-22(9-11-23)14-16-4-7-20-21(12-16)27-15-26-20/h4-7,12-13H,1-3,8-11,14-15H2/p+1