[3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [3-(isoquinolin-2-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [3-(isoquinolin-2-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecoxyphenoxy)-2-methoxy-propyl] [3-(isoquinolin-2-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecoxyphenoxy)-2-methoxypropyl] [3-(3-isoquinolin-2-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecoxyphenoxy)-2-methoxypropyl] [3-(isoquinolin-2-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(isoquinolin-2-ium-3-ylmethyl)phenyl] [3-(3-lauryloxyphenoxy)-2-methoxy-propyl] hydrogen phosphate Formula: C38H51NO7P+ MolecularWeight: 664.787801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)CC3=CC4=CC=CC=C4C=[NH+]3)OC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)CC3=CC4=CC=CC=C4C=[NH+]3)OC

InChI

InChI=1S/C38H50NO7P/c1-3-4-5-6-7-8-9-10-11-14-23-43-35-20-16-21-36(27-35)44-29-38(42-2)30-45-47(40,41)46-37-22-15-17-31(25-37)24-34-26-32-18-12-13-19-33(32)28-39-34/h12-13,15-22,25-28,38H,3-11,14,23-24,29-30H2,1-2H3,(H,40,41)/p+1