(4S)-4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide

Systemtic Name: (4S)-4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide Openeye Name: (4S)-4-(1-ethylbutyl)-7-methylene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide CAS Name: (4S)-4-hexan-3-yl-7-methylene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide IUPAC Name: (4S)-4-hexan-3-yl-7-methylidene-1,2,3,5,6,8-hexahydropyrrolizin-4-ium bromide Traditional Name: (4S)-4-(1-ethylbutyl)-1-methylene-pyrrolizidin-4-ium bromide Formula: C14H26BrN MolecularWeight: 288.26694

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)[N+]12CCCC1C(=C)CC2.[Br-]

Isomeric SMILES

CCCC(CC)[N@@+]12CCCC1C(=C)CC2.[Br-]

InChI

InChI=1S/C14H26N.BrH/c1-4-7-13(5-2)15-10-6-8-14(15)12(3)9-11-15;/h13-14H,3-11H2,1-2H3;1H/q+1;/p-1/t13?,14?,15-;/m0./s1