1-[(2-nitrophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-styryl]sulfonyl-piperazin-1-ium CAS Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(2-nitrophenyl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(2-nitrobenzyl)-4-[(E)-styryl]sulfonyl-piperazin-1-ium Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c23-22(24)19-9-5-4-8-18(19)16-20-11-13-21(14-12-20)27(25,26)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2/p+1/b15-10+