N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C19H26ClN3OS+2 MolecularWeight: 379.94724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24ClN3OS/c1-14-10-15(2)19(17(20)11-14)21-18(24)13-23-7-5-22(6-8-23)12-16-4-3-9-25-16/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,21,24)/p+2