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

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-chloro-2-methylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-chloro-2-methylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C18H24ClN3OS+2 MolecularWeight: 365.92066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22ClN3OS/c1-14-11-15(19)4-5-17(14)20-18(23)13-22-8-6-21(7-9-22)12-16-3-2-10-24-16/h2-5,10-11H,6-9,12-13H2,1H3,(H,20,23)/p+2