2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[oxo-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-[(E)-cinnamyl]piperazin-4-ium-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C26H32N3O2S+ MolecularWeight: 450.61618

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H31N3O2S/c30-25(28-15-6-7-16-28)21-32-24-13-5-4-12-23(24)26(31)29-19-17-27(18-20-29)14-8-11-22-9-2-1-3-10-22/h1-5,8-13H,6-7,14-21H2/p+1/b11-8+