acridin-9-yl-[4-(8-azanyl-8-oxidanylidene-octyl)phenyl]azanium; methanesulfonate

Systemtic Name: acridin-9-yl-[4-(8-azanyl-8-oxidanylidene-octyl)phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(8-amino-8-oxo-octyl)phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(8-amino-8-oxooctyl)phenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(8-amino-8-oxooctyl)phenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(8-amino-8-keto-octyl)phenyl]ammonium mesylate Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCCC(=O)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)[NH2+]C4=CC=C(C=C4)CCCCCCCC(=O)N

InChI

InChI=1S/C27H29N3O.CH4O3S/c28-26(31)15-5-3-1-2-4-10-20-16-18-21(19-17-20)29-27-22-11-6-8-13-24(22)30-25-14-9-7-12-23(25)27;1-5(2,3)4/h6-9,11-14,16-19H,1-5,10,15H2,(H2,28,31)(H,29,30);1H3,(H,2,3,4)