methyl sulfate; trimethyl-[3-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]propyl]azanium

Systemtic Name: methyl sulfate; trimethyl-[3-[(3-oxidanylidenebenzo[f]chromen-2-yl)carbonylamino]propyl]azanium Openeye Name: methyl sulfate; trimethyl-[3-[(3-oxobenzo[f]chromene-2-carbonyl)amino]propyl]ammonium CAS Name: methyl sulfate; trimethyl-[3-[[oxo-(3-oxo-2-benzo[f][1]benzopyranyl)methyl]amino]propyl]ammonium IUPAC Name: methyl sulfate; trimethyl-[3-[(3-oxobenzo[f]chromene-2-carbonyl)amino]propyl]azanium Traditional Name: 3-[(3-ketobenzo[f]chromene-2-carbonyl)amino]propyl-trimethyl-ammonium; methyl sulfate Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)CCCNC(=O)C1=CC2=C(C=CC3=CC=CC=C32)OC1=O.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H22N2O3.CH4O4S/c1-22(2,3)12-6-11-21-19(23)17-13-16-15-8-5-4-7-14(15)9-10-18(16)25-20(17)24;1-5-6(2,3)4/h4-5,7-10,13H,6,11-12H2,1-3H3;1H3,(H,2,3,4)