(2-methoxy-3-pentoxy-propyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-pentoxy-propyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-pentoxy-propyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-pentoxypropyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-pentoxypropyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (3-amoxy-2-methoxy-propyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C19H29NO6PS+ MolecularWeight: 430.475421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC=C2)OC

InChI

InChI=1S/C19H28NO6PS/c1-3-4-5-10-24-14-19(23-2)15-25-27(21,22)26-18-8-6-7-17(12-18)13-20-9-11-28-16-20/h6-9,11-12,16,19H,3-5,10,13-15H2,1-2H3/p+1