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

Systemtic Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-quinolin-1-ium-1-ylbutanoate chloride Openeye Name: (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl 4-quinolin-1-ium-1-ylbutanoate chloride CAS Name: 4-(1-quinolin-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-quinolin-1-ium-1-ylbutanoate chloride Traditional Name: 4-quinolin-1-ium-1-ylbutyric acid (2-heptadecyl-2-methyl-1,3-dioxolan-4-yl)methyl ester chloride Formula: C35H56ClNO4 MolecularWeight: 590.27644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCC[N+]2=CC=CC3=CC=CC=C32)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1(OCC(O1)COC(=O)CCC[N+]2=CC=CC3=CC=CC=C32)C.[Cl-]

InChI

InChI=1S/C35H56NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-26-35(2)39-30-32(40-35)29-38-34(37)25-21-28-36-27-20-23-31-22-17-18-24-33(31)36;/h17-18,20,22-24,27,32H,3-16,19,21,25-26,28-30H2,1-2H3;1H/q+1;/p-1