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

Systemtic Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecyl-pyridin-1-ium Openeye Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecyl-pyridin-1-ium CAS Name: 3-[(2S)-1-methyl-2-pyrrolidinyl]-1-undecylpyridin-1-ium IUPAC Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecylpyridin-1-ium Traditional Name: 3-[(2S)-1-methylpyrrolidin-2-yl]-1-undecyl-pyridin-1-ium Formula: C21H37N2+ MolecularWeight: 317.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C

Isomeric SMILES

CCCCCCCCCCC[N+]1=CC=CC(=C1)[C@@H]2CCCN2C

InChI

InChI=1S/C21H37N2/c1-3-4-5-6-7-8-9-10-11-17-23-18-12-14-20(19-23)21-15-13-16-22(21)2/h12,14,18-19,21H,3-11,13,15-17H2,1-2H3/q+1/t21-/m0/s1