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

Systemtic Name: N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,4-dimethylphenyl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,4-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,4-dimethylphenyl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetamide Formula: C19H26N3OS+ MolecularWeight: 344.49424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3OS/c1-15-5-6-18(16(2)12-15)20-19(23)14-22-9-7-21(8-10-22)13-17-4-3-11-24-17/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,20,23)/p+1