sodium 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]ethanoate

Systemtic Name: sodium 2-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]ethanoate Openeye Name: sodium 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetate CAS Name: sodium 2-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]acetate IUPAC Name: sodium 2-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]acetate Traditional Name: sodium 2-[3-(acridin-9-ylamino)-5-methylol-anilino]acetate Formula: C22H18N3NaO3 MolecularWeight: 395.38639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)CO)NCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)CO)NCC(=O)[O-].[Na+]

InChI

InChI=1S/C22H19N3O3.Na/c26-13-14-9-15(23-12-21(27)28)11-16(10-14)24-22-17-5-1-3-7-19(17)25-20-8-4-2-6-18(20)22;/h1-11,23,26H,12-13H2,(H,24,25)(H,27,28);/q;+1/p-1