4,4-diphenylhept-5-ynyl-methyl-(phenylmethyl)azanium

Systemtic Name: 4,4-diphenylhept-5-ynyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-(4,4-diphenylhept-5-ynyl)-methyl-ammonium CAS Name: 4,4-diphenylhept-5-ynyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-(4,4-diphenylhept-5-ynyl)-methylazanium Traditional Name: benzyl-(4,4-diphenylhept-5-ynyl)-methyl-ammonium Formula: C27H30N+ MolecularWeight: 368.5338

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CCC[NH+](C)CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC#CC(CCC[NH+](C)CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C27H29N/c1-3-20-27(25-16-9-5-10-17-25,26-18-11-6-12-19-26)21-13-22-28(2)23-24-14-7-4-8-15-24/h4-12,14-19H,13,21-23H2,1-2H3/p+1