1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium

Systemtic Name: 1-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Openeye Name: 1-[(E)-cinnamyl]-4-[2-nitro-4-(1-piperidylsulfonyl)phenyl]piperazin-1-ium CAS Name: 1-[2-nitro-4-(1-piperidinylsulfonyl)phenyl]-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium IUPAC Name: 1-(2-nitro-4-piperidin-1-ylsulfonylphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium Traditional Name: 1-[(E)-cinnamyl]-4-(2-nitro-4-piperidinosulfonyl-phenyl)piperazin-1-ium Formula: C24H31N4O4S+ MolecularWeight: 471.59234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O4S/c29-28(30)24-20-22(33(31,32)27-14-5-2-6-15-27)11-12-23(24)26-18-16-25(17-19-26)13-7-10-21-8-3-1-4-9-21/h1,3-4,7-12,20H,2,5-6,13-19H2/p+1/b10-7+