[1-[16-[3-(hydroxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]hexadecyl]-1-methyl-pyrrolidin-1-ium-3-yl]methanol

Systemtic Name: [1-[16-[3-(hydroxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]hexadecyl]-1-methyl-pyrrolidin-1-ium-3-yl]methanol Openeye Name: [1-[16-[3-(hydroxymethyl)-1-methyl-pyrrolidin-1-ium-1-yl]hexadecyl]-1-methyl-pyrrolidin-1-ium-3-yl]methanol CAS Name: [1-[16-[3-(hydroxymethyl)-1-methyl-1-pyrrolidin-1-iumyl]hexadecyl]-1-methyl-3-pyrrolidin-1-iumyl]methanol IUPAC Name: [1-[16-[3-(hydroxymethyl)-1-methylpyrrolidin-1-ium-1-yl]hexadecyl]-1-methylpyrrolidin-1-ium-3-yl]methanol Traditional Name: [1-methyl-1-[16-(1-methyl-3-methylol-pyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium-3-yl]methanol Formula: C28H58N2O2+2 MolecularWeight: 454.77232

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)CO)CCCCCCCCCCCCCCCC[N+]2(CCC(C2)CO)C

Isomeric SMILES

C[N+]1(CCC(C1)CO)CCCCCCCCCCCCCCCC[N+]2(CCC(C2)CO)C

InChI

InChI=1S/C28H58N2O2/c1-29(21-17-27(23-29)25-31)19-15-13-11-9-7-5-3-4-6-8-10-12-14-16-20-30(2)22-18-28(24-30)26-32/h27-28,31-32H,3-26H2,1-2H3/q+2