sodium 4-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]butanoate

Systemtic Name: sodium 4-[[3-(acridin-9-ylamino)-5-(hydroxymethyl)phenyl]amino]butanoate Openeye Name: sodium 4-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]butanoate CAS Name: sodium 4-[3-(9-acridinylamino)-5-(hydroxymethyl)anilino]butanoate IUPAC Name: sodium 4-[3-(acridin-9-ylamino)-5-(hydroxymethyl)anilino]butanoate Traditional Name: sodium 4-[3-(acridin-9-ylamino)-5-methylol-anilino]butyrate Formula: C24H22N3NaO3 MolecularWeight: 423.43955

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O3.Na/c28-15-16-12-17(25-11-5-10-23(29)30)14-18(13-16)26-24-19-6-1-3-8-21(19)27-22-9-4-2-7-20(22)24;/h1-4,6-9,12-14,25,28H,5,10-11,15H2,(H,26,27)(H,29,30);/q;+1/p-1