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

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

Isomeric SMILES

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

InChI

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