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

Systemtic Name: N-(2-ethylphenyl)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c1-2-16-6-3-4-8-18(16)21-19(24)15-22-9-11-23(12-10-22)20(25)14-17-7-5-13-26-17/h3-8,13H,2,9-12,14-15H2,1H3,(H,21,24)/p+1