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

Systemtic Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-quinolin-1-ium-1-ylbutanoate chloride Openeye Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-quinolin-1-ium-1-ylbutanoate chloride CAS Name: 4-(1-quinolin-1-iumyl)butanoic acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester chloride IUPAC Name: (2-heptadecyl-1,3-dioxolan-4-yl)methyl 4-quinolin-1-ium-1-ylbutanoate chloride Traditional Name: 4-quinolin-1-ium-1-ylbutyric acid (2-heptadecyl-1,3-dioxolan-4-yl)methyl ester chloride Formula: C34H54ClNO4 MolecularWeight: 576.24986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCC[N+]2=CC=CC3=CC=CC=C32.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCC[N+]2=CC=CC3=CC=CC=C32.[Cl-]

InChI

InChI=1S/C34H54NO4.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-34-38-29-31(39-34)28-37-33(36)24-20-27-35-26-19-22-30-21-17-18-23-32(30)35;/h17-19,21-23,26,31,34H,2-16,20,24-25,27-29H2,1H3;1H/q+1;/p-1