4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-pentanenitrile

Systemtic Name: 4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-pentanenitrile Openeye Name: 4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-pentanenitrile CAS Name: 4-(1-methyl-1-azocan-1-iumyl)-2,2-diphenylpentanenitrile IUPAC Name: 4-(1-methylazocan-1-ium-1-yl)-2,2-diphenylpentanenitrile Traditional Name: 4-(1-methylazocan-1-ium-1-yl)-2,2-diphenyl-valeronitrile Formula: C25H33N2+ MolecularWeight: 361.54292

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)[N+]3(CCCCCCC3)C

Isomeric SMILES

CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)[N+]3(CCCCCCC3)C

InChI

InChI=1S/C25H33N2/c1-22(27(2)18-12-4-3-5-13-19-27)20-25(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/q+1