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

Systemtic Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-(2-methyl-5-nitro-phenyl)azanium Openeye Name: [2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-(2-methyl-5-nitro-phenyl)ammonium CAS Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)-1-piperazinyl]-2-oxoethyl]-(2-methyl-5-nitrophenyl)ammonium IUPAC Name: [2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxoethyl]-(2-methyl-5-nitrophenyl)azanium Traditional Name: [2-(4-indan-5-ylsulfonylpiperazino)-2-keto-ethyl]-(2-methyl-5-nitro-phenyl)ammonium Formula: C22H27N4O5S+ MolecularWeight: 459.53858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])[NH2+]CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H26N4O5S/c1-16-5-7-19(26(28)29)14-21(16)23-15-22(27)24-9-11-25(12-10-24)32(30,31)20-8-6-17-3-2-4-18(17)13-20/h5-8,13-14,23H,2-4,9-12,15H2,1H3/p+1