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

Systemtic Name: 4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid; N-methylmethanamine; iodide Openeye Name: 4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid; N-methylmethanamine; iodide CAS Name: 4-(4,6-diphenyl-2-thiopyryliumyl)butanoic acid; N-methylmethanamine; iodide IUPAC Name: 4-(4,6-diphenylthiopyrylium-2-yl)butanoic acid; N-methylmethanamine; iodide Traditional Name: dimethylamine; 4-(4,6-diphenylthiopyrylium-2-yl)butyric acid; iodide Formula: C23H26INO2S MolecularWeight: 507.42751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O2S.C2H7N.HI/c22-21(23)13-7-12-19-14-18(16-8-3-1-4-9-16)15-20(24-19)17-10-5-2-6-11-17;1-3-2;/h1-6,8-11,14-15H,7,12-13H2;3H,1-2H3;1H