2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylphenyl)ethanamide

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylphenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(m-tolyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(3-methylphenyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(3-methylphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(m-tolyl)acetamide Formula: C18H24ClN3OS+2 MolecularWeight: 365.92066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

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