2-[1-(12-cyclohexyldodecoxy)-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propan-2-yl]oxypyrimidine

Systemtic Name: 2-[1-(12-cyclohexyldodecoxy)-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propan-2-yl]oxypyrimidine Openeye Name: 2-[1-(12-cyclohexyldodecoxymethyl)-2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethoxy]pyrimidine CAS Name: 2-[1-(12-cyclohexyldodecoxy)-3-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethylsulfinyl]propan-2-yl]oxypyrimidine IUPAC Name: 2-[1-(12-cyclohexyldodecoxy)-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propan-2-yl]oxypyrimidine Traditional Name: 2-[1-(12-cyclohexyldodecoxymethyl)-2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethoxy]pyrimidine Formula: C34H56N3O4S+ MolecularWeight: 602.89114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]2=CC=CC=C2)OC3=NC=CC=N3

Isomeric SMILES

C1CCC(CC1)CCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]2=CC=CC=C2)OC3=NC=CC=N3

InChI

InChI=1S/C34H56N3O4S/c38-42(29-28-39-27-25-37-23-14-10-15-24-37)31-33(41-34-35-21-17-22-36-34)30-40-26-16-8-6-4-2-1-3-5-7-11-18-32-19-12-9-13-20-32/h10,14-15,17,21-24,32-33H,1-9,11-13,16,18-20,25-31H2/q+1