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

Systemtic Name: (2-heptadecyl-2-propyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate Openeye Name: (2-heptadecyl-2-propyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid (2-heptadecyl-2-propyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-2-propyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid (2-heptadecyl-2-propyl-1,3-dioxolan-4-yl)methyl ester Formula: C33H58NO4+ MolecularWeight: 532.81792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H58NO4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-25-33(24-4-2)37-30-31(38-33)29-36-32(35)23-22-28-34-26-20-18-21-27-34/h18,20-21,26-27,31H,3-17,19,22-25,28-30H2,1-2H3/q+1