1-methyl-4-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-[3-nitro-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[4-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-nitro-phenyl]sulfonyl-4-methyl-piperazin-4-ium Formula: C24H33N5O4S+2 MolecularWeight: 487.61492

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CC[NH+](CC3)CC=CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(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/C24H31N5O4S/c1-25-12-18-28(19-13-25)34(32,33)22-9-10-23(24(20-22)29(30)31)27-16-14-26(15-17-27)11-5-8-21-6-3-2-4-7-21/h2-10,20H,11-19H2,1H3/p+2/b8-5+