3-(8-methyl-8-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile

Systemtic Name: 3-(8-methyl-8-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile Openeye Name: 3-(8-allyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile CAS Name: 3-(8-methyl-8-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile IUPAC Name: 3-(8-methyl-8-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile Traditional Name: 3-(8-allyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propionitrile Formula: C26H31N2+ MolecularWeight: 371.53774

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CC=C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C26H31N2/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23/h3-13,21,24-25H,1,14-19H2,2H3/q+1