2-[3-[1-(2-adamantyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[1-(2-adamantyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-azanium Openeye Name: 2-[3-[1-(2-adamantyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[1-(2-adamantyl)-4-piperidin-1-iumyl]-1-oxopropyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[3-[1-(2-adamantyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[1-(2-adamantyl)piperidin-1-ium-4-yl]propanoylamino]ethyl-dimethyl-ammonium Formula: C22H41N3O+2 MolecularWeight: 363.58044

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[NH+](C)CCNC(=O)CCC1CC[NH+](CC1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H39N3O/c1-24(2)10-7-23-21(26)4-3-16-5-8-25(9-6-16)22-19-12-17-11-18(14-19)15-20(22)13-17/h16-20,22H,3-15H2,1-2H3,(H,23,26)/p+2