potassium [(Z)-[7-chloranyl-2-(2-methylphenyl)carbonyl-1,3-dihydroisoquinolin-4-ylidene]amino] sulfate

Systemtic Name: potassium [(Z)-[7-chloranyl-2-(2-methylphenyl)carbonyl-1,3-dihydroisoquinolin-4-ylidene]amino] sulfate Openeye Name: potassium [(Z)-[7-chloro-2-(2-methylbenzoyl)-1,3-dihydroisoquinolin-4-ylidene]amino] sulfate CAS Name: potassium [(Z)-[7-chloro-2-[(2-methylphenyl)-oxomethyl]-1,3-dihydroisoquinolin-4-ylidene]amino] sulfate IUPAC Name: potassium [(Z)-[7-chloro-2-(2-methylbenzoyl)-1,3-dihydroisoquinolin-4-ylidene]amino] sulfate Traditional Name: potassium [(Z)-(7-chloro-2-o-toluoyl-1,3-dihydroisoquinolin-4-ylidene)amino] sulfate Formula: C17H14ClKN2O5S MolecularWeight: 432.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CC3=C(C=CC(=C3)Cl)C(=NOS(=O)(=O)[O-])C2.[K+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CC3=C(C=CC(=C3)Cl)/C(=N/OS(=O)(=O)[O-])/C2.[K+]

InChI

InChI=1S/C17H15ClN2O5S.K/c1-11-4-2-3-5-14(11)17(21)20-9-12-8-13(18)6-7-15(12)16(10-20)19-25-26(22,23)24;/h2-8H,9-10H2,1H3,(H,22,23,24);/q;+1/p-1/b19-16+;