N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)carbamimidothioate

Systemtic Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)carbamimidothioate Openeye Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholinosulfonylphenyl)carbamimidothioate CAS Name: N'-[(2R,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-N-[4-(4-morpholinylsulfonyl)phenyl]carbamimidothioate IUPAC Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholin-4-ylsulfonylphenyl)carbamimidothioate Traditional Name: N'-[(2R,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-morpholinosulfonylphenyl)carbamimidothioate Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1N=C(NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)[S-])C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1/N=C(/NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)\[S-])C

InChI

InChI=1S/C18H28N4O3S2/c1-14-4-3-5-15(2)22(14)20-18(26)19-16-6-8-17(9-7-16)27(23,24)21-10-12-25-13-11-21/h6-9,14-15H,3-5,10-13H2,1-2H3,(H2,19,20,26)/t14-,15+