2-[1-adamantylcarbamoyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[1-adamantylcarbamoyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[1-adamantylcarbamoyl(benzyl)amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(1-adamantylamino)-oxomethyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[1-adamantylcarbamoyl(benzyl)amino]ethyl-dimethylazanium Traditional Name: 2-[1-adamantylcarbamoyl(benzyl)amino]ethyl-dimethyl-ammonium Formula: C22H34N3O+ MolecularWeight: 356.52486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](C)CCN(CC1=CC=CC=C1)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3O/c1-24(2)8-9-25(16-17-6-4-3-5-7-17)21(26)23-22-13-18-10-19(14-22)12-20(11-18)15-22/h3-7,18-20H,8-16H2,1-2H3,(H,23,26)/p+1