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

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-(phenylmethyl)pyridin-1-ium bromide Openeye Name: 1-benzyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide CAS Name: 3-[(2S)-1-methyl-2-pyrrolidinyl]-1-(phenylmethyl)pyridin-1-ium bromide IUPAC Name: 1-benzyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Traditional Name: 1-benzyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Formula: C17H21BrN2 MolecularWeight: 333.26604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

Isomeric SMILES

CN1CCC[C@H]1C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H21N2.BrH/c1-18-11-6-10-17(18)16-9-5-12-19(14-16)13-15-7-3-2-4-8-15;/h2-5,7-9,12,14,17H,6,10-11,13H2,1H3;1H/q+1;/p-1/t17-;/m0./s1