2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C24H40BrN2O+ MolecularWeight: 452.4912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)[NH+]5CCCCC5

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)[NH+]5CCCCC5

InChI

InChI=1S/C24H39BrN2O/c25-23-14-19-11-20(15-23)13-22(12-19,17-23)16-21(28)26-18-24(7-3-1-4-8-24)27-9-5-2-6-10-27/h19-20H,1-18H2,(H,26,28)/p+1/t19-,20+,22?,23?