1-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium

Systemtic Name: 1-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium Openeye Name: 1-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium CAS Name: 1-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium IUPAC Name: 1-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium Traditional Name: 1-[4-[(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=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=C(C=C1)C[N+]2=CC=CC3=CC=CC=C32)OC

InChI

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