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

Systemtic Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxyphenyl)carbamimidothioate Openeye Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxyphenyl)carbamimidothioate CAS Name: N'-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]-N-(4-methoxyphenyl)carbamimidothioate IUPAC Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxyphenyl)carbamimidothioate Traditional Name: N'-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]-N-(4-methoxyphenyl)carbamimidothioate Formula: C15H23N3OS MolecularWeight: 293.42762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3OS/c1-11-5-4-6-12(2)18(11)17-15(20)16-13-7-9-14(19-3)10-8-13/h7-12H,4-6H2,1-3H3,(H2,16,17,20)/t11-,12-/m1/s1