1,3-bis[(1S)-1-phenylethyl]benzimidazol-3-ium iodide

Systemtic Name: 1,3-bis[(1S)-1-phenylethyl]benzimidazol-3-ium iodide Openeye Name: 1,3-bis[(1S)-1-phenylethyl]benzimidazol-3-ium iodide CAS Name: 1,3-bis[(1S)-1-phenylethyl]benzimidazol-3-ium iodide IUPAC Name: 1,3-bis[(1S)-1-phenylethyl]benzimidazol-3-ium iodide Traditional Name: 1,3-bis[(1S)-1-phenylethyl]benzimidazol-3-ium iodide Formula: C23H23IN2 MolecularWeight: 454.34659

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C=[N+](C3=CC=CC=C32)C(C)C4=CC=CC=C4.[I-]

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)N2C=[N+](C3=CC=CC=C32)[C@@H](C)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H23N2.HI/c1-18(20-11-5-3-6-12-20)24-17-25(23-16-10-9-15-22(23)24)19(2)21-13-7-4-8-14-21;/h3-19H,1-2H3;1H/q+1;/p-1/t18-,19-;/m0./s1