[(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-yl-methanone Openeye Name: [(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone CAS Name: [(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-4-oxazolyl]methyl]-3-piperidin-1-iumyl]-thiophen-2-ylmethanone IUPAC Name: [(3S)-1-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-1-ium-3-yl]-thiophen-2-ylmethanone Traditional Name: [(3S)-1-[(5-methyl-2-p-phenetyl-oxazol-4-yl)methyl]piperidin-1-ium-3-yl]-(2-thienyl)methanone Formula: C23H27N2O3S+ MolecularWeight: 411.53708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCCC(C3)C(=O)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(O2)C)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C23H26N2O3S/c1-3-27-19-10-8-17(9-11-19)23-24-20(16(2)28-23)15-25-12-4-6-18(14-25)22(26)21-7-5-13-29-21/h5,7-11,13,18H,3-4,6,12,14-15H2,1-2H3/p+1/t18-/m0/s1