(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: (3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic acid (3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester IUPAC Name: (3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid (5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methyl ester Formula: C18H19N4O3S+ MolecularWeight: 371.43346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=C(N=CC=C3)N4CCCC4

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)COC(=O)C3=C(N=CC=C3)N4CCCC4

InChI

InChI=1S/C18H18N4O3S/c1-12-11-26-18-20-13(9-15(23)22(12)18)10-25-17(24)14-5-4-6-19-16(14)21-7-2-3-8-21/h4-6,9,11H,2-3,7-8,10H2,1H3/p+1