1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 2-morpholin-4-ium-4-yl-1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethanone CAS Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 2-morpholin-4-ium-4-yl-1-[(5S,7R)-3-(p-tolyl)-1-adamantyl]ethanone Formula: C23H32NO2+ MolecularWeight: 354.50568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)C[NH+]5CCOCC5

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)C[NH+]5CCOCC5

InChI

InChI=1S/C23H31NO2/c1-17-2-4-20(5-3-17)22-11-18-10-19(12-22)14-23(13-18,16-22)21(25)15-24-6-8-26-9-7-24/h2-5,18-19H,6-16H2,1H3/p+1/t18-,19+,22?,23?