1-(7-methyloctyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide

Systemtic Name: 1-(7-methyloctyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Openeye Name: 1-(7-methyloctyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide CAS Name: 1-(7-methyloctyl)-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium bromide IUPAC Name: 1-(7-methyloctyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Traditional Name: 1-(7-methyloctyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium bromide Formula: C19H33BrN2 MolecularWeight: 369.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.[Br-]

Isomeric SMILES

CC(C)CCCCCC[N+]1=CC=CC(=C1)[C@@H]2CCCN2C.[Br-]

InChI

InChI=1S/C19H33N2.BrH/c1-17(2)10-6-4-5-7-14-21-15-8-11-18(16-21)19-12-9-13-20(19)3;/h8,11,15-17,19H,4-7,9-10,12-14H2,1-3H3;1H/q+1;/p-1/t19-;/m0./s1