methyl-[9-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]amino]acridin-3-yl]azanium chloride

Systemtic Name: methyl-[9-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]amino]acridin-3-yl]azanium chloride Openeye Name: [9-[4-(4-hydroxy-4-oxo-butyl)anilino]acridin-3-yl]-methyl-ammonium chloride CAS Name: [9-[4-(4-hydroxy-4-oxobutyl)anilino]-3-acridinyl]-methylammonium chloride IUPAC Name: [9-[4-(4-hydroxy-4-oxobutyl)anilino]acridin-3-yl]-methylazanium chloride Traditional Name: [9-[4-(4-hydroxy-4-keto-butyl)anilino]acridin-3-yl]-methyl-ammonium chloride Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)CCCC(=O)O.[Cl-]

Isomeric SMILES

C[NH2+]C1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)CCCC(=O)O.[Cl-]

InChI

InChI=1S/C24H23N3O2.ClH/c1-25-18-13-14-20-22(15-18)27-21-7-3-2-6-19(21)24(20)26-17-11-9-16(10-12-17)5-4-8-23(28)29;/h2-3,6-7,9-15,25H,4-5,8H2,1H3,(H,26,27)(H,28,29);1H