N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[5-[(4-bromophenyl)methyl]thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[5-[(4-bromophenyl)methyl]-2-thiazolyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[5-(4-bromobenzyl)thiazol-2-yl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H21BrN3OS+ MolecularWeight: 395.33714

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C17H20BrN3OS/c18-14-6-4-13(5-7-14)10-15-11-19-17(23-15)20-16(22)12-21-8-2-1-3-9-21/h4-7,11H,1-3,8-10,12H2,(H,19,20,22)/p+1