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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+](CCO)CC34CC5CC(C3)CC(C5)C4

InChI

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