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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-[[2-[methyl(phenyl)azaniumyl]phenyl]methyl]octanoate Openeye Name: 2-(6-methoxy-2-naphthyl)-2-[[2-[methyl(phenyl)ammonio]phenyl]methyl]octanoate CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-[[2-[methyl(phenyl)ammonio]phenyl]methyl]octanoate IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-[[2-[methyl(phenyl)azaniumyl]phenyl]methyl]octanoate Traditional Name: 2-(6-methoxy-2-naphthyl)-2-[2-[methyl(phenyl)ammonio]benzyl]caprylate Formula: C33H37NO3 MolecularWeight: 495.65178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H37NO3/c1-4-5-6-12-21-33(32(35)36,28-19-17-26-23-30(37-3)20-18-25(26)22-28)24-27-13-10-11-16-31(27)34(2)29-14-8-7-9-15-29/h7-11,13-20,22-23H,4-6,12,21,24H2,1-3H3,(H,35,36)