[4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethyl-azanium; methyl sulfate

Systemtic Name: [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethyl-azanium; methyl sulfate Openeye Name: [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethyl-ammonium; methyl sulfate CAS Name: [4-[[(3,4-dichloroanilino)-oxomethyl]amino]phenyl]-trimethylammonium; methyl sulfate IUPAC Name: [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethylazanium; methyl sulfate Traditional Name: [4-[(3,4-dichlorophenyl)carbamoylamino]phenyl]-trimethyl-ammonium; methyl sulfate Formula: C17H21Cl2N3O5S MolecularWeight: 450.33674

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H17Cl2N3O.CH4O4S/c1-21(2,3)13-7-4-11(5-8-13)19-16(22)20-12-6-9-14(17)15(18)10-12;1-5-6(2,3)4/h4-10H,1-3H3,(H-,19,20,22);1H3,(H,2,3,4)