N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-thiomorpholino-pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-thiomorpholin-4-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-thiomorpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-thiomorpholino-pyridin-1-ium-3-carboxamide Formula: C17H24N5OS+ MolecularWeight: 346.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N3CCSCC3

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)N3CCSCC3

InChI

InChI=1S/C17H23N5OS/c1-3-21(13-16-18-6-7-20(16)2)17(23)14-4-5-15(19-12-14)22-8-10-24-11-9-22/h4-7,12H,3,8-11,13H2,1-2H3/p+1