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

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(3-nitrophenyl)azanium Openeye Name: [2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-(3-nitrophenyl)ammonium CAS Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-(3-nitrophenyl)ammonium IUPAC Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-(3-nitrophenyl)azanium Traditional Name: [2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-(3-nitrophenyl)ammonium Formula: C21H25N4O5S+ MolecularWeight: 445.512

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH2+]C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CCN(CC3)C(=O)C[NH2+]C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c26-21(15-22-18-5-2-6-19(14-18)25(27)28)23-9-11-24(12-10-23)31(29,30)20-8-7-16-3-1-4-17(16)13-20/h2,5-8,13-14,22H,1,3-4,9-12,15H2/p+1