3-[(2S)-1-methylpyrrolidin-2-yl]-1-[(Z)-oct-3-enyl]pyridin-1-ium bromide

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-[(Z)-oct-3-enyl]pyridin-1-ium bromide Openeye Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-[(Z)-oct-3-enyl]pyridin-1-ium bromide CAS Name: 3-[(2S)-1-methyl-2-pyrrolidinyl]-1-[(Z)-oct-3-enyl]pyridin-1-ium bromide IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-[(Z)-oct-3-enyl]pyridin-1-ium bromide Traditional Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-[(Z)-oct-3-enyl]pyridin-1-ium bromide Formula: C18H29BrN2 MolecularWeight: 353.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CCC[N+]1=CC=CC(=C1)C2CCCN2C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C18H29N2.BrH/c1-3-4-5-6-7-8-14-20-15-9-11-17(16-20)18-12-10-13-19(18)2;/h6-7,9,11,15-16,18H,3-5,8,10,12-14H2,1-2H3;1H/q+1;/p-1/b7-6-;/t18-;/m0./s1