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

Systemtic Name: 1-[[3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]pyrazin-1-ium Openeye Name: 1-[[3-[(3-hexadecoxy-2-methoxy-propoxy)methyl]phenyl]methyl]pyrazin-1-ium CAS Name: 1-[[3-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]pyrazin-1-ium IUPAC Name: 1-[[3-[(3-hexadecoxy-2-methoxypropoxy)methyl]phenyl]methyl]pyrazin-1-ium Traditional Name: 1-[3-[(3-cetyloxy-2-methoxy-propoxy)methyl]benzyl]pyrazin-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=NC=C2)OC

Isomeric SMILES

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

InChI

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