1-adamantyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C[NH2+]C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O/c24-20(23-6-5-18-3-1-2-4-19(18)14-23)13-22-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,15-17,22H,5-14H2/p+1