5,5-diphenylpent-4-en-2-ynyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 5,5-diphenylpent-4-en-2-ynyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-isopropyl-ammonium CAS Name: 5,5-diphenylpent-4-en-2-ynyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-propan-2-ylazanium Traditional Name: benzyl-(5,5-diphenylpent-4-en-2-ynyl)-isopropyl-ammonium Formula: C27H28N+ MolecularWeight: 366.51792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CC#CC=C(C1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+](CC#CC=C(C1=CC=CC=C1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H27N/c1-23(2)28(22-24-14-6-3-7-15-24)21-13-12-20-27(25-16-8-4-9-17-25)26-18-10-5-11-19-26/h3-11,14-20,23H,21-22H2,1-2H3/p+1