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

Systemtic Name: 1-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]pyridin-1-ium Openeye Name: 1-[[3-[(2-ethoxy-3-hexadecoxy-propoxy)methyl]phenyl]methyl]pyridin-1-ium CAS Name: 1-[[3-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]pyridin-1-ium IUPAC Name: 1-[[3-[(2-ethoxy-3-hexadecoxypropoxy)methyl]phenyl]methyl]pyridin-1-ium Traditional Name: 1-[3-[(3-cetyloxy-2-ethoxy-propoxy)methyl]benzyl]pyridin-1-ium Formula: C34H56NO3+ MolecularWeight: 526.81334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H56NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-20-26-36-30-34(38-4-2)31-37-29-33-23-21-22-32(27-33)28-35-24-18-17-19-25-35/h17-19,21-25,27,34H,3-16,20,26,28-31H2,1-2H3/q+1