1-(2H-1,3-benzothiazol-3-ylmethyl)-1-octadecyl-pyrrolidin-1-ium-2-one

Systemtic Name: 1-(2H-1,3-benzothiazol-3-ylmethyl)-1-octadecyl-pyrrolidin-1-ium-2-one Openeye Name: 1-(2H-1,3-benzothiazol-3-ylmethyl)-1-octadecyl-pyrrolidin-1-ium-2-one CAS Name: 1-(2H-1,3-benzothiazol-3-ylmethyl)-1-octadecyl-2-pyrrolidin-1-iumone IUPAC Name: 1-(2H-1,3-benzothiazol-3-ylmethyl)-1-octadecylpyrrolidin-1-ium-2-one Traditional Name: 1-(2H-1,3-benzothiazol-3-ylmethyl)-1-stearyl-pyrrolidin-1-ium-2-one Formula: C30H51N2OS+ MolecularWeight: 487.80374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)CN2CSC3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCCC1=O)CN2CSC3=CC=CC=C32

InChI

InChI=1S/C30H51N2OS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-32(25-20-23-30(32)33)26-31-27-34-29-22-18-17-21-28(29)31/h17-18,21-22H,2-16,19-20,23-27H2,1H3/q+1