4-(3-octanoyloxybutan-2-yl)pyridine-3-carboxylate bromide

Systemtic Name: 4-(3-octanoyloxybutan-2-yl)pyridine-3-carboxylate bromide Openeye Name: 4-(1-methyl-2-octanoyloxy-propyl)pyridine-3-carboxylate bromide CAS Name: 4-[3-(1-oxooctoxy)butan-2-yl]-3-pyridinecarboxylate bromide IUPAC Name: 4-(3-octanoyloxybutan-2-yl)pyridine-3-carboxylate bromide Traditional Name: 4-(2-caprylyloxy-1-methyl-propyl)nicotinate bromide Formula: C18H26BrNO4-2 MolecularWeight: 400.30734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC(C)C(C)C1=C(C=NC=C1)C(=O)[O-].[Br-]

Isomeric SMILES

CCCCCCCC(=O)OC(C)C(C)C1=C(C=NC=C1)C(=O)[O-].[Br-]

InChI

InChI=1S/C18H27NO4.BrH/c1-4-5-6-7-8-9-17(20)23-14(3)13(2)15-10-11-19-12-16(15)18(21)22;/h10-14H,4-9H2,1-3H3,(H,21,22);1H/p-2