3-[[3-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]isoquinolin-2-ium

Systemtic Name: 3-[[3-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]isoquinolin-2-ium Openeye Name: 3-[[3-[(2-methoxy-3-octadecoxy-propoxy)methyl]phenyl]methyl]isoquinolin-2-ium CAS Name: 3-[[3-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]isoquinolin-2-ium IUPAC Name: 3-[[3-[(2-methoxy-3-octadecoxypropoxy)methyl]phenyl]methyl]isoquinolin-2-ium Traditional Name: 3-[3-[(2-methoxy-3-stearyloxy-propoxy)methyl]benzyl]isoquinolin-2-ium Formula: C39H60NO3+ MolecularWeight: 590.8986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)CC2=CC3=CC=CC=C3C=[NH+]2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCC1=CC=CC(=C1)CC2=CC3=CC=CC=C3C=[NH+]2)OC

InChI

InChI=1S/C39H59NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-42-32-39(41-2)33-43-31-35-23-21-22-34(27-35)28-38-29-36-24-18-19-25-37(36)30-40-38/h18-19,21-25,27,29-30,39H,3-17,20,26,28,31-33H2,1-2H3/p+1