3-(4,6-diphenylthiopyrylium-2-yl)propanoic acid; N-methylmethanamine; iodide

Systemtic Name: 3-(4,6-diphenylthiopyrylium-2-yl)propanoic acid; N-methylmethanamine; iodide Openeye Name: 3-(4,6-diphenylthiopyrylium-2-yl)propanoic acid; N-methylmethanamine; iodide CAS Name: 3-(4,6-diphenyl-2-thiopyryliumyl)propanoic acid; N-methylmethanamine; iodide IUPAC Name: 3-(4,6-diphenylthiopyrylium-2-yl)propanoic acid; N-methylmethanamine; iodide Traditional Name: dimethylamine; 3-(4,6-diphenylthiopyrylium-2-yl)propionic acid; iodide Formula: C22H24INO2S MolecularWeight: 493.40093

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1=CC=C(C=C1)C2=CC(=[S+]C(=C2)CCC(=O)O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CNC.C1=CC=C(C=C1)C2=CC(=[S+]C(=C2)CCC(=O)O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C20H16O2S.C2H7N.HI/c21-20(22)12-11-18-13-17(15-7-3-1-4-8-15)14-19(23-18)16-9-5-2-6-10-16;1-3-2;/h1-10,13-14H,11-12H2;3H,1-2H3;1H