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

Systemtic Name: acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[2-methoxy-4-(octylsulfonylamino)phenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[2-methoxy-4-(octylsulfonylamino)phenyl]ammonium mesylate Formula: C29H37N3O6S2 MolecularWeight: 587.75058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H33N3O3S.CH4O3S/c1-3-4-5-6-7-12-19-35(32,33)31-21-17-18-26(27(20-21)34-2)30-28-22-13-8-10-15-24(22)29-25-16-11-9-14-23(25)28;1-5(2,3)4/h8-11,13-18,20,31H,3-7,12,19H2,1-2H3,(H,29,30);1H3,(H,2,3,4)