1-adamantylmethyl-(2-hydroxyethyl)-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]azanium

Systemtic Name: 1-adamantylmethyl-(2-hydroxyethyl)-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]azanium Openeye Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]ammonium CAS Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[5-methyl-2-(3-thiophenyl)-4-oxazolyl]methyl]ammonium IUPAC Name: 1-adamantylmethyl-(2-hydroxyethyl)-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl]azanium Traditional Name: 1-adamantylmethyl-(2-hydroxyethyl)-[[5-methyl-2-(3-thienyl)oxazol-4-yl]methyl]ammonium Formula: C22H31N2O2S+ MolecularWeight: 387.55874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CSC=C2)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CSC=C2)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N2O2S/c1-15-20(23-21(26-15)19-2-5-27-13-19)12-24(3-4-25)14-22-9-16-6-17(10-22)8-18(7-16)11-22/h2,5,13,16-18,25H,3-4,6-12,14H2,1H3/p+1