5-(3-cyclohexyldodecoxy)-3-ethoxy-1-ethyl-2-methoxy-4-propoxy-pyridin-1-ium chloride

Systemtic Name: 5-(3-cyclohexyldodecoxy)-3-ethoxy-1-ethyl-2-methoxy-4-propoxy-pyridin-1-ium chloride Openeye Name: 5-(3-cyclohexyldodecoxy)-3-ethoxy-1-ethyl-2-methoxy-4-propoxy-pyridin-1-ium chloride CAS Name: 5-(3-cyclohexyldodecoxy)-3-ethoxy-1-ethyl-2-methoxy-4-propoxypyridin-1-ium chloride IUPAC Name: 5-(3-cyclohexyldodecoxy)-3-ethoxy-1-ethyl-2-methoxy-4-propoxypyridin-1-ium chloride Traditional Name: 5-(3-cyclohexyldodecoxy)-3-ethoxy-1-ethyl-2-methoxy-4-propoxy-pyridin-1-ium chloride Formula: C31H56ClNO4 MolecularWeight: 542.23364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCOC1=C[N+](=C(C(=C1OCCC)OCC)OC)CC)C2CCCCC2.[Cl-]

Isomeric SMILES

CCCCCCCCCC(CCOC1=C[N+](=C(C(=C1OCCC)OCC)OC)CC)C2CCCCC2.[Cl-]

InChI

InChI=1S/C31H56NO4.ClH/c1-6-10-11-12-13-14-16-21-27(26-19-17-15-18-20-26)22-24-35-28-25-32(8-3)31(33-5)30(34-9-4)29(28)36-23-7-2;/h25-27H,6-24H2,1-5H3;1H/q+1;/p-1