2,4-bis(chloranyl)-6-[[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(2R)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]amino]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]amino]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(2R)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]amino]methyl]phenolate Formula: C16H24Cl2N2O MolecularWeight: 331.28056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCC1=CC(=CC(=C1[O-])Cl)Cl)[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@H](CNCC1=CC(=CC(=C1[O-])Cl)Cl)[NH+]2CCCC2

InChI

InChI=1S/C16H24Cl2N2O/c1-11(2)15(20-5-3-4-6-20)10-19-9-12-7-13(17)8-14(18)16(12)21/h7-8,11,15,19,21H,3-6,9-10H2,1-2H3/t15-/m0/s1