1-adamantyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: 1-adamantyl-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: 1-adamantyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: 1-adamantyl-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: 1-adamantyl-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(3-phenylpropylamino)ethyl]ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)[NH2+]CC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C21H30N2O/c24-20(22-8-4-7-16-5-2-1-3-6-16)15-23-21-12-17-9-18(13-21)11-19(10-17)14-21/h1-3,5-6,17-19,23H,4,7-15H2,(H,22,24)/p+1