(E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)azaniumyl]hept-5-en-3-ynoate

Systemtic Name: (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)azaniumyl]hept-5-en-3-ynoate Openeye Name: (E)-2,2-dimethyl-7-[methyl(1-naphthylmethyl)ammonio]hept-5-en-3-ynoate CAS Name: (E)-2,2-dimethyl-7-[methyl(1-naphthalenylmethyl)ammonio]hept-5-en-3-ynoate IUPAC Name: (E)-2,2-dimethyl-7-[methyl(naphthalen-1-ylmethyl)azaniumyl]hept-5-en-3-ynoate Traditional Name: (E)-2,2-dimethyl-7-[methyl(1-naphthylmethyl)ammonio]hept-5-en-3-ynoate Formula: C21H23NO2 MolecularWeight: 321.41282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24)/b8-4+