2-[4-(acridin-10-ium-9-ylamino)phenyl]butanoic acid chloride

Systemtic Name: 2-[4-(acridin-10-ium-9-ylamino)phenyl]butanoic acid chloride Openeye Name: 2-[4-(acridin-10-ium-9-ylamino)phenyl]butanoic acid chloride CAS Name: 2-[4-(9-acridin-10-iumylamino)phenyl]butanoic acid chloride IUPAC Name: 2-[4-(acridin-10-ium-9-ylamino)phenyl]butanoic acid chloride Traditional Name: 2-[4-(acridin-10-ium-9-ylamino)phenyl]butyric acid chloride Formula: C23H21ClN2O2 MolecularWeight: 392.87804

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)NC2=C3C=CC=CC3=[NH+]C4=CC=CC=C42)C(=O)O.[Cl-]

Isomeric SMILES

CCC(C1=CC=C(C=C1)NC2=C3C=CC=CC3=[NH+]C4=CC=CC=C42)C(=O)O.[Cl-]

InChI

InChI=1S/C23H20N2O2.ClH/c1-2-17(23(26)27)15-11-13-16(14-12-15)24-22-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)22;/h3-14,17H,2H2,1H3,(H,24,25)(H,26,27);1H