[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methanone CAS Name: [5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methanone Formula: C23H27N2O2S+ MolecularWeight: 395.53768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C23H26N2O2S/c1-23(2,27)13-12-20-10-11-21(28-20)22(26)25-17-15-24(16-18-25)14-6-9-19-7-4-3-5-8-19/h3-11,27H,14-18H2,1-2H3/p+1/b9-6+