sodium 6-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]pyridine-2-carboxylate

Systemtic Name: sodium 6-[6-chloranyl-3-(2-methylpropyl)indol-1-yl]pyridine-2-carboxylate Openeye Name: sodium 6-(6-chloro-3-isobutyl-indol-1-yl)pyridine-2-carboxylate CAS Name: sodium 6-[6-chloro-3-(2-methylpropyl)-1-indolyl]-2-pyridinecarboxylate IUPAC Name: sodium 6-[6-chloro-3-(2-methylpropyl)indol-1-yl]pyridine-2-carboxylate Traditional Name: sodium 6-(6-chloro-3-isobutyl-indol-1-yl)picolinate Formula: C18H16ClN2NaO2 MolecularWeight: 350.77461

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=CC(=N3)C(=O)[O-].[Na+]

Isomeric SMILES

CC(C)CC1=CN(C2=C1C=CC(=C2)Cl)C3=CC=CC(=N3)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H17ClN2O2.Na/c1-11(2)8-12-10-21(16-9-13(19)6-7-14(12)16)17-5-3-4-15(20-17)18(22)23;/h3-7,9-11H,8H2,1-2H3,(H,22,23);/q;+1/p-1