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

Systemtic Name: 1-[[2-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium Openeye Name: 1-[[2-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium CAS Name: 1-[[2-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium IUPAC Name: 1-[[2-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium Traditional Name: 1-[2-[(2-methoxy-3-stearyloxy-propoxy)methyl]benzyl]quinolin-1-ium Formula: C39H60NO3+ MolecularWeight: 590.8986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H60NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-42-33-38(41-2)34-43-32-37-26-19-18-25-36(37)31-40-29-23-27-35-24-20-21-28-39(35)40/h18-21,23-29,38H,3-17,22,30-34H2,1-2H3/q+1