7-(butylaminomethyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 7-(butylaminomethyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 7-(butylaminomethyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 7-(butylaminomethyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 7-(butylaminomethyl)-3-phenyl-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 7-(butylaminomethyl)-3-phenyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=O)[N+]2=C(N1)SC=C2C3=CC=CC=C3

Isomeric SMILES

CCCCNCC1=CC(=O)[N+]2=C(N1)SC=C2C3=CC=CC=C3

InChI

InChI=1S/C17H19N3OS/c1-2-3-9-18-11-14-10-16(21)20-15(12-22-17(20)19-14)13-7-5-4-6-8-13/h4-8,10,12,18H,2-3,9,11H2,1H3/p+1