1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)sulfonyl-piperazin-1-ium Openeye Name: 1-benzylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium CAS Name: 1-[(3-nitrophenyl)methyl]-4-(phenylmethyl)sulfonylpiperazin-1-ium IUPAC Name: 1-benzylsulfonyl-4-[(3-nitrophenyl)methyl]piperazin-4-ium Traditional Name: 1-benzylsulfonyl-4-(3-nitrobenzyl)piperazin-4-ium Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

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