sodium 3-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]propane-1-sulfonic acid

Systemtic Name: sodium 3-[[3-(acridin-9-ylamino)-5-azanyl-phenyl]methoxy]propane-1-sulfonic acid Openeye Name: sodium 3-[[3-(acridin-9-ylamino)-5-amino-phenyl]methoxy]propane-1-sulfonic acid CAS Name: sodium 3-[[3-(9-acridinylamino)-5-aminophenyl]methoxy]-1-propanesulfonic acid IUPAC Name: sodium 3-[[3-(acridin-9-ylamino)-5-aminophenyl]methoxy]propane-1-sulfonic acid Traditional Name: sodium 3-[3-(acridin-9-ylamino)-5-amino-benzyl]oxypropane-1-sulfonic acid Formula: C23H23N3NaO4S+ MolecularWeight: 460.50119

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)COCCCS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)COCCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C23H23N3O4S.Na/c24-17-12-16(15-30-10-5-11-31(27,28)29)13-18(14-17)25-23-19-6-1-3-8-21(19)26-22-9-4-2-7-20(22)23;/h1-4,6-9,12-14H,5,10-11,15,24H2,(H,25,26)(H,27,28,29);/q;+1