acridin-9-yl-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]azanium; methanesulfonate

Systemtic Name: acridin-9-yl-[4-(2-azanyl-2-oxidanylidene-ethyl)phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(2-amino-2-oxo-ethyl)phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(2-amino-2-oxoethyl)phenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(2-amino-2-oxoethyl)phenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(2-amino-2-keto-ethyl)phenyl]ammonium mesylate Formula: C22H21N3O4S MolecularWeight: 423.48484

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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)CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O.CH4O3S/c22-20(25)13-14-9-11-15(12-10-14)23-21-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)21;1-5(2,3)4/h1-12H,13H2,(H2,22,25)(H,23,24);1H3,(H,2,3,4)