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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[4-[methyl(phenyl)azaniumyl]phenyl]methyl]hexanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[4-[methyl(phenyl)ammonio]phenyl]methyl]hexanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[4-[methyl(phenyl)ammonio]phenyl]methyl]hexanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[4-[methyl(phenyl)azaniumyl]phenyl]methyl]hexanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[4-[methyl(phenyl)ammonio]benzyl]hexanoate Formula: C31H33NO3 MolecularWeight: 467.59862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=C(C=C1)[NH+](C)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

Isomeric SMILES

CCCCC(CC1=CC=C(C=C1)[NH+](C)C2=CC=CC=C2)(C3=CC4=C(C=C3)C=C(C=C4)OC)C(=O)[O-]

InChI

InChI=1S/C31H33NO3/c1-4-5-19-31(30(33)34,26-15-13-25-21-29(35-3)18-14-24(25)20-26)22-23-11-16-28(17-12-23)32(2)27-9-7-6-8-10-27/h6-18,20-21H,4-5,19,22H2,1-3H3,(H,33,34)