1-(naphthalen-1-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-naphthylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-naphthalenylmethyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-(3-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-naphthylmethyl)-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

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