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

Systemtic Name: 2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)butanoate Openeye Name: 2-[[2-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthyl)butanoate CAS Name: 2-[[2-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)butanoate IUPAC Name: 2-[[2-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)butanoate Traditional Name: 2-[2-[(dimethylammonio)methyl]benzyl]-2-(6-methoxy-2-naphthyl)butyrate Formula: C25H29NO3 MolecularWeight: 391.50266

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1C[NH+](C)C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCC(CC1=CC=CC=C1C[NH+](C)C)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C25H29NO3/c1-5-25(24(27)28,16-20-8-6-7-9-21(20)17-26(2)3)22-12-10-19-15-23(29-4)13-11-18(19)14-22/h6-15H,5,16-17H2,1-4H3,(H,27,28)