4-[[4-(1-adamantyl)phenyl]methyl]morpholin-4-ium

Systemtic Name: 4-[[4-(1-adamantyl)phenyl]methyl]morpholin-4-ium Openeye Name: 4-[[4-(1-adamantyl)phenyl]methyl]morpholin-4-ium CAS Name: 4-[[4-(1-adamantyl)phenyl]methyl]morpholin-4-ium IUPAC Name: 4-[[4-(1-adamantyl)phenyl]methyl]morpholin-4-ium Traditional Name: 4-[4-(1-adamantyl)benzyl]morpholin-4-ium Formula: C21H30NO+ MolecularWeight: 312.469

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29NO/c1-3-20(4-2-16(1)15-22-5-7-23-8-6-22)21-12-17-9-18(13-21)11-19(10-17)14-21/h1-4,17-19H,5-15H2/p+1