[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: 2-furylmethyl-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: 2-furfuryl-[2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-methyl-ammonium Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

C[NH+](CC1=CC=CO1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C21H27N3O4S/c1-22(15-19-6-3-13-28-19)16-21(25)23-9-11-24(12-10-23)29(26,27)20-8-7-17-4-2-5-18(17)14-20/h3,6-8,13-14H,2,4-5,9-12,15-16H2,1H3/p+1