N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylethanoyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-thienyl)acetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(1-oxo-2-thiophen-2-ylethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-thiophen-2-ylacetyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-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:

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC=CS3

InChI

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