1-[[2-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium

Systemtic Name: 1-[[2-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium Openeye Name: 1-[[2-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium CAS Name: 1-[[2-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium IUPAC Name: 1-[[2-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium Traditional Name: 1-[2-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzyl]quinolin-1-ium Formula: C37H56NO3+ MolecularWeight: 562.84544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC=C1C[N+]2=CC=CC3=CC=CC=C32)OC

InChI

InChI=1S/C37H56NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-40-31-36(39-2)32-41-30-35-24-17-16-23-34(35)29-38-27-21-25-33-22-18-19-26-37(33)38/h16-19,21-27,36H,3-15,20,28-32H2,1-2H3/q+1