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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H32N4O2S/c27-20(15-26-5-3-25(4-6-26)14-19-2-1-7-29-19)23-21(28)24-22-11-16-8-17(12-22)10-18(9-16)13-22/h1-2,7,16-18H,3-6,8-15H2,(H2,23,24,27,28)/p+2