N-(3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(E)-cinnamyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-[(E)-cinnamyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C21H26N3OS+ MolecularWeight: 368.51564

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CC[NH+](CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c1-25-20-11-5-10-19(17-20)22-21(26)24-15-13-23(14-16-24)12-6-9-18-7-3-2-4-8-18/h2-11,17H,12-16H2,1H3,(H,22,26)/p+1/b9-6+