2-[[3-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)pentanoate

Systemtic Name: 2-[[3-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)pentanoate Openeye Name: 2-[[3-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthyl)pentanoate CAS Name: 2-[[3-[(dimethylammonio)methyl]phenyl]methyl]-2-(6-methoxy-2-naphthalenyl)pentanoate IUPAC Name: 2-[[3-[(dimethylazaniumyl)methyl]phenyl]methyl]-2-(6-methoxynaphthalen-2-yl)pentanoate Traditional Name: 2-[3-[(dimethylammonio)methyl]benzyl]-2-(6-methoxy-2-naphthyl)valerate Formula: C26H31NO3 MolecularWeight: 405.52924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31NO3/c1-5-13-26(25(28)29,17-19-7-6-8-20(14-19)18-27(2)3)23-11-9-22-16-24(30-4)12-10-21(22)15-23/h6-12,14-16H,5,13,17-18H2,1-4H3,(H,28,29)