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

Systemtic Name: N-(1-adamantylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(1-adamantylmethyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(1-adamantylmethyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C22H35N3OS+2 MolecularWeight: 389.5978

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CS2)CC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H33N3OS/c26-21(15-25-5-3-24(4-6-25)14-20-2-1-7-27-20)23-16-22-11-17-8-18(12-22)10-19(9-17)13-22/h1-2,7,17-19H,3-6,8-16H2,(H,23,26)/p+2