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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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