2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-[2-(2-chlorophenyl)thiazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-[2-(2-chlorophenyl)-4-thiazolyl]-N-[[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-[2-(2-chlorophenyl)thiazol-4-yl]-N-[(6-pyrrolidinopyridin-1-ium-3-yl)methyl]acetamide Formula: C21H22ClN4OS+ MolecularWeight: 413.94358

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CC3=CSC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=C(C=C2)CNC(=O)CC3=CSC(=N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4OS/c22-18-6-2-1-5-17(18)21-25-16(14-28-21)11-20(27)24-13-15-7-8-19(23-12-15)26-9-3-4-10-26/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,24,27)/p+1