1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]piperazin-4-ium Openeye Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-indan-5-ylsulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]piperazin-4-ium Traditional Name: 1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-indan-5-ylsulfonyl-piperazin-1-ium Formula: C19H26N5O4S+ MolecularWeight: 420.50584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4S/c1-14-19(24(25)26)15(2)23(20-14)13-21-8-10-22(11-9-21)29(27,28)18-7-6-16-4-3-5-17(16)12-18/h6-7,12H,3-5,8-11,13H2,1-2H3/p+1