3-[[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-azanium Openeye Name: 3-[[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium CAS Name: 3-[[(3S)-1-(2-adamantyl)-3-piperidin-1-iumyl]-methylamino]propyl-dimethylammonium IUPAC Name: 3-[[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-methylamino]propyl-dimethylazanium Traditional Name: 3-[[(3S)-1-(2-adamantyl)piperidin-1-ium-3-yl]-methyl-amino]propyl-dimethyl-ammonium Formula: C21H41N3+2 MolecularWeight: 335.57034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN(C)C1CCC[NH+](C1)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

C[NH+](C)CCCN(C)[C@H]1CCC[NH+](C1)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C21H39N3/c1-22(2)7-5-8-23(3)20-6-4-9-24(15-20)21-18-11-16-10-17(13-18)14-19(21)12-16/h16-21H,4-15H2,1-3H3/p+2/t16?,17?,18?,19?,20-,21?/m0/s1