1-(2,3-dihydro-1H-inden-2-yl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-indan-2-yl-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(2,3-dihydro-1H-inden-2-yl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-indan-2-yl-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C19H22N3O4S+ MolecularWeight: 388.46068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C2CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c23-22(24)18-7-3-4-8-19(18)27(25,26)21-11-9-20(10-12-21)17-13-15-5-1-2-6-16(15)14-17/h1-8,17H,9-14H2/p+1