N-(2-ethylphenyl)-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[3-(2-thienyl)propanoyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-(1-oxo-3-thiophen-2-ylpropyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[3-(2-thienyl)propanoyl]piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CCC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-2-17-6-3-4-8-19(17)22-20(25)16-23-11-13-24(14-12-23)21(26)10-9-18-7-5-15-27-18/h3-8,15H,2,9-14,16H2,1H3,(H,22,25)/p+1