3-methyl-N-(phenylmethyl)-N-propan-2-yl-imidazol-3-ium-1-carbothioamide iodide

Systemtic Name: 3-methyl-N-(phenylmethyl)-N-propan-2-yl-imidazol-3-ium-1-carbothioamide iodide Openeye Name: N-benzyl-N-isopropyl-3-methyl-imidazol-3-ium-1-carbothioamide iodide CAS Name: 3-methyl-N-(phenylmethyl)-N-propan-2-yl-1-imidazol-3-iumcarbothioamide iodide IUPAC Name: N-benzyl-3-methyl-N-propan-2-ylimidazol-3-ium-1-carbothioamide iodide Traditional Name: N-benzyl-N-isopropyl-3-methyl-imidazol-3-ium-1-carbothioamide iodide Formula: C15H20IN3S MolecularWeight: 401.30887

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=S)N2C=C[N+](=C2)C.[I-]

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=S)N2C=C[N+](=C2)C.[I-]

InChI

InChI=1S/C15H20N3S.HI/c1-13(2)18(11-14-7-5-4-6-8-14)15(19)17-10-9-16(3)12-17;/h4-10,12-13H,11H2,1-3H3;1H/q+1;/p-1