1-[3-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-3-ium-3-yl]propyl]pyrrolidin-2-one

Systemtic Name: 1-[3-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-3-ium-3-yl]propyl]pyrrolidin-2-one Openeye Name: 1-[3-[4-phenyl-2-(3-pyridylamino)thiazol-3-ium-3-yl]propyl]pyrrolidin-2-one CAS Name: 1-[3-[4-phenyl-2-(3-pyridinylamino)-3-thiazol-3-iumyl]propyl]-2-pyrrolidinone IUPAC Name: 1-[3-[4-phenyl-2-(pyridin-3-ylamino)-1,3-thiazol-3-ium-3-yl]propyl]pyrrolidin-2-one Traditional Name: 1-[3-[4-phenyl-2-(3-pyridylamino)thiazol-3-ium-3-yl]propyl]-2-pyrrolidone Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCC[N+]2=C(SC=C2C3=CC=CC=C3)NC4=CN=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)CCC[N+]2=C(SC=C2C3=CC=CC=C3)NC4=CN=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20-10-5-12-24(20)13-6-14-25-19(17-7-2-1-3-8-17)16-27-21(25)23-18-9-4-11-22-15-18/h1-4,7-9,11,15-16H,5-6,10,12-14H2/p+1