N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-pyrrolidin-1-yl-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(2-methyl-4-thiazolyl)phenyl]-2-(1-pyrrolidinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-pyrrolidin-1-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[3-(2-methylthiazol-4-yl)phenyl]-2-pyrrolidino-pyridin-1-ium-3-carboxamide Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=C([NH+]=CC=C3)N4CCCC4

InChI

InChI=1S/C20H20N4OS/c1-14-22-18(13-26-14)15-6-4-7-16(12-15)23-20(25)17-8-5-9-21-19(17)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,23,25)/p+1