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

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester Formula: C30H52NO4+ MolecularWeight: 490.73818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCC[N+]2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCC[N+]2=CC=CC=C2

InChI

InChI=1S/C30H52NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-22-30-34-27-28(35-30)26-33-29(32)21-20-25-31-23-18-16-19-24-31/h16,18-19,23-24,28,30H,2-15,17,20-22,25-27H2,1H3/q+1