1-(naphthalen-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-(naphthalen-1-ylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-(1-naphthylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(1-naphthalenylmethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium IUPAC Name: 1-(naphthalen-1-ylmethyl)-4-(2-nitrophenyl)sulfonylpiperazin-1-ium Traditional Name: 1-(1-naphthylmethyl)-4-(2-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C21H22N3O4S+ MolecularWeight: 412.48208

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