1-[4-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]piperidine-2,6-dione

Systemtic Name: 1-[4-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]piperidine-2,6-dione Openeye Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]piperidine-2,6-dione CAS Name: 1-[4-methoxy-3-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]piperidine-2,6-dione IUPAC Name: 1-[4-methoxy-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]piperidine-2,6-dione Traditional Name: 1-[3-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-4-methoxy-phenyl]piperidine-2,6-quinone Formula: C25H30N3O5S+ MolecularWeight: 484.5878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)CCCC2=O)S(=O)(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)CCCC2=O)S(=O)(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O5S/c1-33-22-13-12-21(28-24(29)10-5-11-25(28)30)19-23(22)34(31,32)27-17-15-26(16-18-27)14-6-9-20-7-3-2-4-8-20/h2-4,6-9,12-13,19H,5,10-11,14-18H2,1H3/p+1/b9-6+