4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide

Systemtic Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide Openeye Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-thiazol-2-ylethyl]benzamide CAS Name: 4-[(1-phenethyl-4-piperidin-1-iumyl)oxy]-N-[(1S)-1-(2-thiazolyl)ethyl]benzamide IUPAC Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide Traditional Name: 4-(1-phenethylpiperidin-1-ium-4-yl)oxy-N-[(1S)-1-thiazol-2-ylethyl]benzamide Formula: C25H30N3O2S+ MolecularWeight: 436.5896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CS1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=NC=CS1)NC(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c1-19(25-26-14-18-31-25)27-24(29)21-7-9-22(10-8-21)30-23-12-16-28(17-13-23)15-11-20-5-3-2-4-6-20/h2-10,14,18-19,23H,11-13,15-17H2,1H3,(H,27,29)/p+1/t19-/m0/s1