(E)-[azaniumyl(azanyl)methylidene]-[(E)-[(7R)-7-[2,4-bis(chloranyl)thiophen-3-yl]-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]azanium; methanesulfonate

Systemtic Name: (E)-[azaniumyl(azanyl)methylidene]-[(E)-[(7R)-7-[2,4-bis(chloranyl)thiophen-3-yl]-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]azanium; methanesulfonate Openeye Name: (E)-[amino(azaniumyl)methylene]-[(E)-[(7R)-7-(2,4-dichloro-3-thienyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]ammonium; methanesulfonate CAS Name: (E)-[amino(ammonio)methylidene]-[(E)-[(7R)-7-(2,4-dichloro-3-thiophenyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]ammonium; methanesulfonate IUPAC Name: (E)-[amino(azaniumyl)methylidene]-[(E)-[(7R)-7-(2,4-dichlorothiophen-3-yl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]azanium; methanesulfonate Traditional Name: (E)-[amino(ammonio)methylene]-[(E)-[(7R)-7-(2,4-dichloro-3-thienyl)-4-methyl-7,8-dihydro-6H-quinolin-5-ylidene]amino]ammonium dimesylate Formula: C17H23Cl2N5O6S3 MolecularWeight: 560.49542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=NC=C1)CC(CC2=N[NH+]=C([NH3+])N)C3=C(SC=C3Cl)Cl.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

Isomeric SMILES

CC1=C\2C(=NC=C1)C[C@H](C/C2=N\[NH+]=C(\[NH3+])/N)C3=C(SC=C3Cl)Cl.CS(=O)(=O)[O-].CS(=O)(=O)[O-]

InChI

InChI=1S/C15H15Cl2N5S.2CH4O3S/c1-7-2-3-20-10-4-8(13-9(16)6-23-14(13)17)5-11(12(7)10)21-22-15(18)19;2*1-5(2,3)4/h2-3,6,8H,4-5H2,1H3,(H4,18,19,22);2*1H3,(H,2,3,4)/b21-11+;;/t8-;;/m1../s1