N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-thiomorpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[3-(3,5-dimethyl-4-isoxazolyl)propyl]-6-thiomorpholin-4-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-thiomorpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[3-(3,5-dimethylisoxazol-4-yl)propyl]-6-thiomorpholino-pyridin-1-ium-3-carboxamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCSCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CCCNC(=O)C2=C[NH+]=C(C=C2)N3CCSCC3

InChI

InChI=1S/C18H24N4O2S/c1-13-16(14(2)24-21-13)4-3-7-19-18(23)15-5-6-17(20-12-15)22-8-10-25-11-9-22/h5-6,12H,3-4,7-11H2,1-2H3,(H,19,23)/p+1