2-[[4-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)hexanoate

Systemtic Name: 2-[[4-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)hexanoate Openeye Name: 2-[[4-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthyl)hexanoate CAS Name: 2-[[4-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)hexanoate IUPAC Name: 2-[[4-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)hexanoate Traditional Name: 2-[4-[(dimethylammonio)methyl]benzyl]-2-(6-methoxy-2-naphthyl)hexanoate Formula: C27H33NO3 MolecularWeight: 419.55582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)C[NH+](C)C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)C[NH+](C)C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C27H33NO3/c1-5-6-15-27(26(29)30,18-20-7-9-21(10-8-20)19-28(2)3)24-13-11-23-17-25(31-4)14-12-22(23)16-24/h7-14,16-17H,5-6,15,18-19H2,1-4H3,(H,29,30)