N,N-dimethyl-1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]pyridin-1-ium-4-amine

Systemtic Name: N,N-dimethyl-1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]pyridin-1-ium-4-amine Openeye Name: N,N-dimethyl-1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]pyridin-1-ium-4-amine CAS Name: N,N-dimethyl-1-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylethoxy]ethyl]-4-pyridin-1-iumamine IUPAC Name: N,N-dimethyl-1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylethoxy]ethyl]pyridin-1-ium-4-amine Traditional Name: dimethyl-[1-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinylethoxy]ethyl]pyridin-1-ium-4-yl]amine Formula: C36H63N4O4S+ MolecularWeight: 647.97482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]1=CC=C(C=C1)N(C)C)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]1=CC=C(C=C1)N(C)C)OC2=NC=CC=N2

InChI

InChI=1S/C36H63N4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28-43-32-35(44-36-37-23-20-24-38-36)33-45(41)31-30-42-29-27-40-25-21-34(22-26-40)39(2)3/h20-26,35H,4-19,27-33H2,1-3H3/q+1