[(E)-6,6-dimethyl-7-(phenylcarbonyloxy)hept-2-en-4-ynyl]-methyl-(naphthalen-1-ylmethyl)azanium

Systemtic Name: [(E)-6,6-dimethyl-7-(phenylcarbonyloxy)hept-2-en-4-ynyl]-methyl-(naphthalen-1-ylmethyl)azanium Openeye Name: [(E)-7-benzoyloxy-6,6-dimethyl-hept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)ammonium CAS Name: [(E)-7-benzoyloxy-6,6-dimethylhept-2-en-4-ynyl]-methyl-(1-naphthalenylmethyl)ammonium IUPAC Name: [(E)-7-benzoyloxy-6,6-dimethylhept-2-en-4-ynyl]-methyl-(naphthalen-1-ylmethyl)azanium Traditional Name: [(E)-7-benzoyloxy-6,6-dimethyl-hept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)ammonium Formula: C28H30NO2+ MolecularWeight: 412.5433

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(COC(=O)C1=CC=CC=C1)C#CC=CC[NH+](C)CC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(COC(=O)C1=CC=CC=C1)C#C/C=C/C[NH+](C)CC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C28H29NO2/c1-28(2,22-31-27(30)24-14-6-4-7-15-24)19-10-5-11-20-29(3)21-25-17-12-16-23-13-8-9-18-26(23)25/h4-9,11-18H,20-22H2,1-3H3/p+1/b11-5+