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

Systemtic Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-thiomorpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-thiomorpholino-pyridin-1-ium-3-carboxamide CAS Name: N-[2-[(2S)-1-methyl-2-piperidin-1-iumyl]ethyl]-6-thiomorpholin-4-yl-3-pyridin-1-iumcarboxamide IUPAC Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-thiomorpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: N-[2-[(2S)-1-methylpiperidin-1-ium-2-yl]ethyl]-6-thiomorpholino-pyridin-1-ium-3-carboxamide Formula: C18H30N4OS+2 MolecularWeight: 350.522

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCCC1CCNC(=O)C2=C[NH+]=C(C=C2)N3CCSCC3

Isomeric SMILES

C[NH+]1CCCC[C@H]1CCNC(=O)C2=C[NH+]=C(C=C2)N3CCSCC3

InChI

InChI=1S/C18H28N4OS/c1-21-9-3-2-4-16(21)7-8-19-18(23)15-5-6-17(20-14-15)22-10-12-24-13-11-22/h5-6,14,16H,2-4,7-13H2,1H3,(H,19,23)/p+2/t16-/m0/s1