(E)-2,2-dimethyl-7-(naphthalen-1-ylmethylazaniumyl)hept-5-en-3-ynoate

Systemtic Name: (E)-2,2-dimethyl-7-(naphthalen-1-ylmethylazaniumyl)hept-5-en-3-ynoate Openeye Name: (E)-2,2-dimethyl-7-(1-naphthylmethylammonio)hept-5-en-3-ynoate CAS Name: (E)-2,2-dimethyl-7-(1-naphthalenylmethylammonio)hept-5-en-3-ynoate IUPAC Name: (E)-2,2-dimethyl-7-(naphthalen-1-ylmethylazaniumyl)hept-5-en-3-ynoate Traditional Name: (E)-2,2-dimethyl-7-(1-naphthylmethylammonio)hept-5-en-3-ynoate Formula: C20H21NO2 MolecularWeight: 307.38624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC=CC[NH2+]CC1=CC=CC2=CC=CC=C21)C(=O)[O-]

Isomeric SMILES

CC(C)(C#C/C=C/C[NH2+]CC1=CC=CC2=CC=CC=C21)C(=O)[O-]

InChI

InChI=1S/C20H21NO2/c1-20(2,19(22)23)13-6-3-7-14-21-15-17-11-8-10-16-9-4-5-12-18(16)17/h3-5,7-12,21H,14-15H2,1-2H3,(H,22,23)/b7-3+