methyl N-methyl-N'-(morpholin-4-ium-4-ylidenemethyl)-N-phenyl-carbamimidothioate iodide

Systemtic Name: methyl N-methyl-N'-(morpholin-4-ium-4-ylidenemethyl)-N-phenyl-carbamimidothioate iodide Openeye Name: 1,2-dimethyl-3-(morpholin-4-ium-4-ylidenemethyl)-1-phenyl-isothiourea iodide CAS Name: N-methyl-N'-(4-morpholin-4-iumylidenemethyl)-N-phenylcarbamimidothioic acid methyl ester iodide IUPAC Name: methyl N-methyl-N'-(morpholin-4-ium-4-ylidenemethyl)-N-phenylcarbamimidothioate iodide Traditional Name: 1,2-dimethyl-3-(morpholin-4-ium-4-ylidenemethyl)-1-phenyl-isothiourea iodide Formula: C14H20IN3OS MolecularWeight: 405.29757

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=NC=[N+]2CCOCC2)SC.[I-]

Isomeric SMILES

CN(C1=CC=CC=C1)C(=NC=[N+]2CCOCC2)SC.[I-]

InChI

InChI=1S/C14H20N3OS.HI/c1-16(13-6-4-3-5-7-13)14(19-2)15-12-17-8-10-18-11-9-17;/h3-7,12H,8-11H2,1-2H3;1H/q+1;/p-1