acridin-9-yl-[4-(butylsulfonylamino)-2-methoxy-phenyl]azanium; methanesulfonate

Systemtic Name: acridin-9-yl-[4-(butylsulfonylamino)-2-methoxy-phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(butylsulfonylamino)-2-methoxy-phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(butylsulfonylamino)-2-methoxyphenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(butylsulfonylamino)-2-methoxyphenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(butylsulfonylamino)-2-methoxy-phenyl]ammonium mesylate Formula: C25H29N3O6S2 MolecularWeight: 531.64426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CCCCS(=O)(=O)NC1=CC(=C(C=C1)[NH2+]C2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C24H25N3O3S.CH4O3S/c1-3-4-15-31(28,29)27-17-13-14-22(23(16-17)30-2)26-24-18-9-5-7-11-20(18)25-21-12-8-6-10-19(21)24;1-5(2,3)4/h5-14,16,27H,3-4,15H2,1-2H3,(H,25,26);1H3,(H,2,3,4)