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

Systemtic Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-indan-5-ylsulfonyl-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-indan-5-ylsulfonyl-4-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O4S/c24-23(25)19-7-4-16(5-8-19)15-21-10-12-22(13-11-21)28(26,27)20-9-6-17-2-1-3-18(17)14-20/h4-9,14H,1-3,10-13,15H2/p+1