1-(3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium CAS Name: 1-(3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(3-nitrophenyl)sulfonyl-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(3-nitrophenyl)sulfonyl-piperazin-1-ium Formula: C19H22N3O4S+ MolecularWeight: 388.46068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c23-22(24)18-9-4-10-19(16-18)27(25,26)21-14-12-20(13-15-21)11-5-8-17-6-2-1-3-7-17/h1-10,16H,11-15H2/p+1/b8-5+