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

Systemtic Name: 1-(6-cyclopentylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Openeye Name: 1-(6-cyclopentylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide CAS Name: 1-(6-cyclopentylhexyl)-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium bromide IUPAC Name: 1-(6-cyclopentylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Traditional Name: 1-(6-cyclopentylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Formula: C21H35BrN2 MolecularWeight: 395.42

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCCC3.[Br-]

Isomeric SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)CCCCCCC3CCCC3.[Br-]

InChI

InChI=1S/C21H35N2.BrH/c1-22-15-9-14-21(22)20-13-8-17-23(18-20)16-7-3-2-4-10-19-11-5-6-12-19;/h8,13,17-19,21H,2-7,9-12,14-16H2,1H3;1H/q+1;/p-1/t21-;/m0./s1