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

Systemtic Name: acridin-9-yl-[4-(9-azanyl-9-oxidanylidene-nonyl)phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(9-amino-9-oxo-nonyl)phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(9-amino-9-oxononyl)phenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(9-amino-9-oxononyl)phenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(9-amino-9-keto-nonyl)phenyl]ammonium mesylate Formula: C29H35N3O4S MolecularWeight: 521.6709

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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)CCCCCCCCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C28H31N3O.CH4O3S/c29-27(32)16-6-4-2-1-3-5-11-21-17-19-22(20-18-21)30-28-23-12-7-9-14-25(23)31-26-15-10-8-13-24(26)28;1-5(2,3)4/h7-10,12-15,17-20H,1-6,11,16H2,(H2,29,32)(H,30,31);1H3,(H,2,3,4)