1-(6-cyclobutylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide

Systemtic Name: 1-(6-cyclobutylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Openeye Name: 1-(6-cyclobutylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide CAS Name: 1-(6-cyclobutylhexyl)-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium bromide IUPAC Name: 1-(6-cyclobutylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Traditional Name: 1-(6-cyclobutylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Formula: C20H33BrN2 MolecularWeight: 381.39342

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCC3.[Br-]

Isomeric SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)CCCCCCC3CCC3.[Br-]

InChI

InChI=1S/C20H33N2.BrH/c1-21-14-8-13-20(21)19-12-7-16-22(17-19)15-5-3-2-4-9-18-10-6-11-18;/h7,12,16-18,20H,2-6,8-11,13-15H2,1H3;1H/q+1;/p-1/t20-;/m0./s1