1-naphthalen-2-ylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium

Systemtic Name: 1-naphthalen-2-ylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Openeye Name: 1-(2-naphthylsulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-(2-naphthalenylsulfonyl)-4-[(2-nitrophenyl)methyl]piperazin-4-ium IUPAC Name: 1-naphthalen-2-ylsulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-(2-naphthylsulfonyl)-4-(2-nitrobenzyl)piperazin-4-ium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H21N3O4S/c25-24(26)21-8-4-3-7-19(21)16-22-11-13-23(14-12-22)29(27,28)20-10-9-17-5-1-2-6-18(17)15-20/h1-10,15H,11-14,16H2/p+1