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

Systemtic Name: [2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonyl-phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-methoxy-5-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-methoxy-5-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]sulfonylphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]sulfonyl-2-methoxy-phenyl]-pyrrolidino-methanone Formula: C25H32N3O4S+ MolecularWeight: 470.60428

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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)N4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C25H31N3O4S/c1-32-24-12-11-22(20-23(24)25(29)27-14-5-6-15-27)33(30,31)28-18-16-26(17-19-28)13-7-10-21-8-3-2-4-9-21/h2-4,7-12,20H,5-6,13-19H2,1H3/p+1/b10-7+