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

Systemtic Name: 1-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]pyridin-1-ium Openeye Name: 1-[[4-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]pyridin-1-ium CAS Name: 1-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]pyridin-1-ium IUPAC Name: 1-[[4-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]pyridin-1-ium Traditional Name: 1-[4-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzyl]pyridin-1-ium Formula: C33H54NO3+ MolecularWeight: 512.78676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-36-29-33(35-2)30-37-28-32-22-20-31(21-23-32)27-34-24-17-16-18-25-34/h16-18,20-25,33H,3-15,19,26-30H2,1-2H3/q+1