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

Systemtic Name: [(E)-6,6-dimethyl-7-oxidanyl-hept-2-en-4-ynyl]-methyl-(naphthalen-1-ylmethyl)azanium Openeye Name: [(E)-7-hydroxy-6,6-dimethyl-hept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)ammonium CAS Name: [(E)-7-hydroxy-6,6-dimethylhept-2-en-4-ynyl]-methyl-(1-naphthalenylmethyl)ammonium IUPAC Name: [(E)-7-hydroxy-6,6-dimethylhept-2-en-4-ynyl]-methyl-(naphthalen-1-ylmethyl)azanium Traditional Name: [(E)-7-hydroxy-6,6-dimethyl-hept-2-en-4-ynyl]-methyl-(1-naphthylmethyl)ammonium Formula: C21H26NO+ MolecularWeight: 308.43724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)C#CC=CC[NH+](C)CC1=CC=CC2=CC=CC=C21

Isomeric SMILES

CC(C)(CO)C#C/C=C/C[NH+](C)CC1=CC=CC2=CC=CC=C21

InChI

InChI=1S/C21H25NO/c1-21(2,17-23)14-7-4-8-15-22(3)16-19-12-9-11-18-10-5-6-13-20(18)19/h4-6,8-13,23H,15-17H2,1-3H3/p+1/b8-4+