[2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]-morpholin-4-yl-methanone

Systemtic Name: [2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]-morpholin-4-yl-methanone Openeye Name: [5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]-morpholino-methanone CAS Name: [2-methoxy-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]-(4-morpholinyl)methanone IUPAC Name: [2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone Traditional Name: [5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]-morpholino-methanone Formula: C25H32N3O5S+ MolecularWeight: 486.60368

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)C(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C25H31N3O5S/c1-32-24-10-9-22(20-23(24)25(29)27-16-18-33-19-17-27)34(30,31)28-14-12-26(13-15-28)11-5-8-21-6-3-2-4-7-21/h2-10,20H,11-19H2,1H3/p+1/b8-5+