acridin-9-yl-[4-(7-azanyl-7-oxidanylidene-heptyl)phenyl]azanium; methanesulfonate

Systemtic Name: acridin-9-yl-[4-(7-azanyl-7-oxidanylidene-heptyl)phenyl]azanium; methanesulfonate Openeye Name: acridin-9-yl-[4-(7-amino-7-oxo-heptyl)phenyl]ammonium; methanesulfonate CAS Name: 9-acridinyl-[4-(7-amino-7-oxoheptyl)phenyl]ammonium; methanesulfonate IUPAC Name: acridin-9-yl-[4-(7-amino-7-oxoheptyl)phenyl]azanium; methanesulfonate Traditional Name: acridin-9-yl-[4-(7-amino-7-keto-heptyl)phenyl]ammonium mesylate Formula: C27H31N3O4S MolecularWeight: 493.61774

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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)CCCCCCC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O.CH4O3S/c27-25(30)14-4-2-1-3-9-19-15-17-20(18-16-19)28-26-21-10-5-7-12-23(21)29-24-13-8-6-11-22(24)26;1-5(2,3)4/h5-8,10-13,15-18H,1-4,9,14H2,(H2,27,30)(H,28,29);1H3,(H,2,3,4)