1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-indan-5-ylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-indan-5-ylsulfonyl-4-(2-nitrobenzyl)piperazin-4-ium Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CC4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O4S/c24-23(25)20-7-2-1-4-18(20)15-21-10-12-22(13-11-21)28(26,27)19-9-8-16-5-3-6-17(16)14-19/h1-2,4,7-9,14H,3,5-6,10-13,15H2/p+1