methyl N-[4-(octadecoxymethyl)oxolan-2-yl]-N-pyridin-1-ium-1-yl-carbamate iodide

Systemtic Name: methyl N-[4-(octadecoxymethyl)oxolan-2-yl]-N-pyridin-1-ium-1-yl-carbamate iodide Openeye Name: methyl N-[4-(octadecoxymethyl)tetrahydrofuran-2-yl]-N-pyridin-1-ium-1-yl-carbamate iodide CAS Name: N-[4-(octadecoxymethyl)-2-oxolanyl]-N-(1-pyridin-1-iumyl)carbamic acid methyl ester iodide IUPAC Name: methyl N-[4-(octadecoxymethyl)oxolan-2-yl]-N-pyridin-1-ium-1-ylcarbamate iodide Traditional Name: N-pyridin-1-ium-1-yl-N-[4-(stearyloxymethyl)tetrahydrofuran-2-yl]carbamic acid methyl ester iodide Formula: C30H53IN2O4 MolecularWeight: 632.65729

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)N(C(=O)OC)[N+]2=CC=CC=C2.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC1CC(OC1)N(C(=O)OC)[N+]2=CC=CC=C2.[I-]

InChI

InChI=1S/C30H53N2O4.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24-35-26-28-25-29(36-27-28)32(30(33)34-2)31-22-19-18-20-23-31;/h18-20,22-23,28-29H,3-17,21,24-27H2,1-2H3;1H/q+1;/p-1