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

Systemtic Name: 1-[[3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]pyrimidin-1-ium Openeye Name: 1-[[3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]pyrimidin-1-ium CAS Name: 1-[[3-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]pyrimidin-1-ium IUPAC Name: 1-[[3-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]pyrimidin-1-ium Traditional Name: 1-[3-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzyl]pyrimidin-1-ium Formula: C32H53N2O3+ MolecularWeight: 513.77482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)C[N+]2=CC=CN=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)C[N+]2=CC=CN=C2)OC

InChI

InChI=1S/C32H53N2O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-36-27-32(35-2)28-37-26-31-20-17-19-30(24-31)25-34-22-18-21-33-29-34/h17-22,24,29,32H,3-16,23,25-28H2,1-2H3/q+1