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

Systemtic Name: acridin-9-yl-[4-(hexylsulfonylamino)-2-methoxy-phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(hexylsulfonylamino)-2-methoxy-phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(hexylsulfonylamino)-2-methoxyphenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(hexylsulfonylamino)-2-methoxyphenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(hexylsulfonylamino)-2-methoxy-phenyl]ammonium mesylate Formula: C27H33N3O6S2 MolecularWeight: 559.69742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N3O3S.CH4O3S/c1-3-4-5-10-17-33(30,31)29-19-15-16-24(25(18-19)32-2)28-26-20-11-6-8-13-22(20)27-23-14-9-7-12-21(23)26;1-5(2,3)4/h6-9,11-16,18,29H,3-5,10,17H2,1-2H3,(H,27,28);1H3,(H,2,3,4)