[1-(3-hexadecoxy-2-methoxy-propyl)pyridin-1-ium-3-yl]methanol bromide

Systemtic Name: [1-(3-hexadecoxy-2-methoxy-propyl)pyridin-1-ium-3-yl]methanol bromide Openeye Name: [1-(3-hexadecoxy-2-methoxy-propyl)pyridin-1-ium-3-yl]methanol bromide CAS Name: [1-(3-hexadecoxy-2-methoxypropyl)-3-pyridin-1-iumyl]methanol bromide IUPAC Name: [1-(3-hexadecoxy-2-methoxypropyl)pyridin-1-ium-3-yl]methanol bromide Traditional Name: [1-(3-cetyloxy-2-methoxy-propyl)pyridin-1-ium-3-yl]methanol bromide Formula: C26H48BrNO3 MolecularWeight: 502.56822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C[N+]1=CC=CC(=C1)CO)OC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C[N+]1=CC=CC(=C1)CO)OC.[Br-]

InChI

InChI=1S/C26H48NO3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-30-24-26(29-2)22-27-19-17-18-25(21-27)23-28;/h17-19,21,26,28H,3-16,20,22-24H2,1-2H3;1H/q+1;/p-1