sodium 5-methyl-2-(1-oxidanylpentyl)-1-phenethyl-indole-6-carboxylic acid

Systemtic Name: sodium 5-methyl-2-(1-oxidanylpentyl)-1-phenethyl-indole-6-carboxylic acid Openeye Name: sodium 2-(1-hydroxypentyl)-5-methyl-1-phenethyl-indole-6-carboxylic acid CAS Name: sodium 2-(1-hydroxypentyl)-5-methyl-1-phenethyl-6-indolecarboxylic acid IUPAC Name: sodium 2-(1-hydroxypentyl)-5-methyl-1-phenethylindole-6-carboxylic acid Traditional Name: sodium 2-(1-hydroxypentyl)-5-methyl-1-phenethyl-indole-6-carboxylic acid Formula: C23H27NNaO3+ MolecularWeight: 388.45515

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC2=CC(=C(C=C2N1CCC3=CC=CC=C3)C(=O)O)C)O.[Na+]

Isomeric SMILES

CCCCC(C1=CC2=CC(=C(C=C2N1CCC3=CC=CC=C3)C(=O)O)C)O.[Na+]

InChI

InChI=1S/C23H27NO3.Na/c1-3-4-10-22(25)21-14-18-13-16(2)19(23(26)27)15-20(18)24(21)12-11-17-8-6-5-7-9-17;/h5-9,13-15,22,25H,3-4,10-12H2,1-2H3,(H,26,27);/q;+1