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

Systemtic Name: N-(1-adamantyl)-2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantyl)-2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantyl)-2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantyl)-2-[4-[(5-chloro-2-thienyl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H32ClN3OS+2 MolecularWeight: 410.01628

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(S2)Cl)CC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H30ClN3OS/c22-19-2-1-18(27-19)13-24-3-5-25(6-4-24)14-20(26)23-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-2,15-17H,3-14H2,(H,23,26)/p+2