1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(4-nitrobenzyl)piperazin-4-ium Formula: C19H22N3O6S+ MolecularWeight: 420.45948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H21N3O6S/c23-22(24)16-3-1-15(2-4-16)14-20-7-9-21(10-8-20)29(25,26)17-5-6-18-19(13-17)28-12-11-27-18/h1-6,13H,7-12,14H2/p+1