1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide hydroiodide

Systemtic Name: 1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide hydroiodide Openeye Name: 1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide hydroiodide CAS Name: 1-decyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridin-1-ium iodide hydroiodide IUPAC Name: 1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide hydroiodide Traditional Name: 1-decyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium iodide hydroiodide Formula: C20H36I2N2 MolecularWeight: 558.32218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1=CC=CC(=C1)C2CCCN2C.I.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C20H35N2.2HI/c1-3-4-5-6-7-8-9-10-16-22-17-11-13-19(18-22)20-14-12-15-21(20)2;;/h11,13,17-18,20H,3-10,12,14-16H2,1-2H3;2*1H/q+1;;/p-1/t20-;;/m0../s1