3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butanenitrile iodide

Systemtic Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butanenitrile iodide Openeye Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butanenitrile iodide CAS Name: 3-methyl-4-(1-methyl-1-azocan-1-iumyl)-2,2-diphenylbutanenitrile iodide IUPAC Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenylbutanenitrile iodide Traditional Name: 3-methyl-4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-butyronitrile iodide Formula: C25H33IN2 MolecularWeight: 488.44739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[N+]1(CCCCCCC1)C)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

Isomeric SMILES

CC(C[N+]1(CCCCCCC1)C)C(C#N)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C25H33N2.HI/c1-22(20-27(2)18-12-4-3-5-13-19-27)25(21-26,23-14-8-6-9-15-23)24-16-10-7-11-17-24;/h6-11,14-17,22H,3-5,12-13,18-20H2,1-2H3;1H/q+1;/p-1