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

Systemtic Name: 1-[[4-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium Openeye Name: 1-[[4-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]quinolin-1-ium CAS Name: 1-[[4-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium IUPAC Name: 1-[[4-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]quinolin-1-ium Traditional Name: 1-[4-[(3-cetyloxy-2-ethoxy-propoxy)methyl]benzyl]quinolin-1-ium Formula: C38H58NO3+ MolecularWeight: 576.87202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H58NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-29-40-32-37(42-4-2)33-41-31-35-26-24-34(25-27-35)30-39-28-20-22-36-21-17-18-23-38(36)39/h17-18,20-28,37H,3-16,19,29-33H2,1-2H3/q+1