1-(2-nitrophenyl)sulfonyl-4-phenethyl-piperazin-4-ium

Systemtic Name: 1-(2-nitrophenyl)sulfonyl-4-phenethyl-piperazin-4-ium Openeye Name: 1-(2-nitrophenyl)sulfonyl-4-phenethyl-piperazin-4-ium CAS Name: 1-(2-nitrophenyl)sulfonyl-4-phenethylpiperazin-4-ium IUPAC Name: 1-(2-nitrophenyl)sulfonyl-4-phenethylpiperazin-4-ium Traditional Name: 1-(2-nitrophenyl)sulfonyl-4-phenethyl-piperazin-4-ium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c22-21(23)17-8-4-5-9-18(17)26(24,25)20-14-12-19(13-15-20)11-10-16-6-2-1-3-7-16/h1-9H,10-15H2/p+1