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

Systemtic Name: 2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)ethanamide Openeye Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide CAS Name: 2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]-N-(4-methoxyphenyl)acetamide IUPAC Name: 2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]-N-(4-methoxyphenyl)acetamide Formula: C18H24ClN3O2S+2 MolecularWeight: 381.92006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=C(S3)Cl

InChI

InChI=1S/C18H22ClN3O2S/c1-24-15-4-2-14(3-5-15)20-18(23)13-22-10-8-21(9-11-22)12-16-6-7-17(19)25-16/h2-7H,8-13H2,1H3,(H,20,23)/p+2