(2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate chloride

Systemtic Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate chloride Openeye Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate chloride CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester chloride IUPAC Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate chloride Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester chloride Formula: C31H54ClNO4 MolecularWeight: 540.21776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCC[N+]2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCC[N+]2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C31H54NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-31(2)35-28-29(36-31)27-34-30(33)22-21-26-32-24-19-17-20-25-32;/h17,19-20,24-25,29H,3-16,18,21-23,26-28H2,1-2H3;1H/q+1;/p-1