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

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]propionamide Formula: C23H36N4O2S+2 MolecularWeight: 432.62254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CC[NH+](CC4)CC5=CC=CS5

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)[NH+]4CC[NH+](CC4)CC5=CC=CS5

InChI

InChI=1S/C23H34N4O2S/c1-16(27-6-4-26(5-7-27)15-20-3-2-8-30-20)21(28)24-22(29)25-23-12-17-9-18(13-23)11-19(10-17)14-23/h2-3,8,16-19H,4-7,9-15H2,1H3,(H2,24,25,28,29)/p+2/t16-,17?,18?,19?,23?/m1/s1