2-adamantyl-[[5-[4-[(1R)-1-oxidanylethyl]phenyl]furan-2-yl]methyl]azanium

Systemtic Name: 2-adamantyl-[[5-[4-[(1R)-1-oxidanylethyl]phenyl]furan-2-yl]methyl]azanium Openeye Name: 2-adamantyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-furyl]methyl]ammonium CAS Name: 2-adamantyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-furanyl]methyl]ammonium IUPAC Name: 2-adamantyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]furan-2-yl]methyl]azanium Traditional Name: 2-adamantyl-[[5-[4-[(1R)-1-hydroxyethyl]phenyl]-2-furyl]methyl]ammonium Formula: C23H30NO2+ MolecularWeight: 352.4898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5)O

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]C3C4CC5CC(C4)CC3C5)O

InChI

InChI=1S/C23H29NO2/c1-14(25)17-2-4-18(5-3-17)22-7-6-21(26-22)13-24-23-19-9-15-8-16(11-19)12-20(23)10-15/h2-7,14-16,19-20,23-25H,8-13H2,1H3/p+1/t14-,15?,16?,19?,20?,23?/m1/s1