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

Systemtic Name: 1-(6-cyclohexylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Openeye Name: 1-(6-cyclohexylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide CAS Name: 1-(6-cyclohexylhexyl)-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium bromide IUPAC Name: 1-(6-cyclohexylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Traditional Name: 1-(6-cyclohexylhexyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Formula: C22H37BrN2 MolecularWeight: 409.44658

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CCCCCCC3CCCCC3.[Br-]

Isomeric SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)CCCCCCC3CCCCC3.[Br-]

InChI

InChI=1S/C22H37N2.BrH/c1-23-16-10-15-22(23)21-14-9-18-24(19-21)17-8-3-2-5-11-20-12-6-4-7-13-20;/h9,14,18-20,22H,2-8,10-13,15-17H2,1H3;1H/q+1;/p-1/t22-;/m0./s1