N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-2-phenyl-butanamide

Systemtic Name: N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-2-phenyl-butanamide Openeye Name: N-(2-methyl-3-thiazolo[5,4-b]pyridin-4-ium-2-yl-phenyl)-2-phenyl-butanamide CAS Name: N-[2-methyl-3-(2-thiazolo[5,4-b]pyridin-4-iumyl)phenyl]-2-phenylbutanamide IUPAC Name: N-[2-methyl-3-([1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]-2-phenylbutanamide Traditional Name: N-(2-methyl-3-thiazolo[5,4-b]pyridin-4-ium-2-yl-phenyl)-2-phenyl-butyramide Formula: C23H22N3OS+ MolecularWeight: 388.50528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(S3)[NH+]=CC=C4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2C)C3=NC4=C(S3)[NH+]=CC=C4

InChI

InChI=1S/C23H21N3OS/c1-3-17(16-9-5-4-6-10-16)21(27)25-19-12-7-11-18(15(19)2)22-26-20-13-8-14-24-23(20)28-22/h4-14,17H,3H2,1-2H3,(H,25,27)/p+1