1-[5-(4-phenethylpiperazin-4-ium-1-yl)carbonylthiophen-2-yl]ethanone

Systemtic Name: 1-[5-(4-phenethylpiperazin-4-ium-1-yl)carbonylthiophen-2-yl]ethanone Openeye Name: 1-[5-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-thienyl]ethanone CAS Name: 1-[5-[oxo-(4-phenethyl-1-piperazin-4-iumyl)methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[5-(4-phenethylpiperazin-4-ium-1-carbonyl)thiophen-2-yl]ethanone Traditional Name: 1-[5-(4-phenethylpiperazin-4-ium-1-carbonyl)-2-thienyl]ethanone Formula: C19H23N2O2S+ MolecularWeight: 343.46312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(S1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2S/c1-15(22)17-7-8-18(24-17)19(23)21-13-11-20(12-14-21)10-9-16-5-3-2-4-6-16/h2-8H,9-14H2,1H3/p+1