2-(2-ethoxyethyl)-1-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-isoquinolin-2-ium

Systemtic Name: 2-(2-ethoxyethyl)-1-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-isoquinolin-2-ium Openeye Name: 2-(2-ethoxyethyl)-1-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-isoquinolin-2-ium CAS Name: 2-(2-ethoxyethyl)-1-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylisoquinolin-2-ium IUPAC Name: 2-(2-ethoxyethyl)-1-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylisoquinolin-2-ium Traditional Name: 2-(2-ethoxyethyl)-1-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinyl-isoquinolin-2-ium Formula: C38H60N3O4S+ MolecularWeight: 654.9657

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)C1=[N+](C=CC2=CC=CC=C21)CCOCC)OC3=NC=CC=N3

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)C1=[N+](C=CC2=CC=CC=C21)CCOCC)OC3=NC=CC=N3

InChI

InChI=1S/C38H60N3O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-44-32-35(45-38-39-26-22-27-40-38)33-46(42)37-36-24-20-19-23-34(36)25-28-41(37)29-31-43-4-2/h19-20,22-28,35H,3-18,21,29-33H2,1-2H3/q+1