potassium [(Z)-[6-chloranyl-2-(2-methylphenyl)carbonyl-3,4-dihydroisoquinolin-1-ylidene]amino] sulfate

Systemtic Name: potassium [(Z)-[6-chloranyl-2-(2-methylphenyl)carbonyl-3,4-dihydroisoquinolin-1-ylidene]amino] sulfate Openeye Name: potassium [(Z)-[6-chloro-2-(2-methylbenzoyl)-3,4-dihydroisoquinolin-1-ylidene]amino] sulfate CAS Name: potassium [(Z)-[6-chloro-2-[(2-methylphenyl)-oxomethyl]-3,4-dihydroisoquinolin-1-ylidene]amino] sulfate IUPAC Name: potassium [(Z)-[6-chloro-2-(2-methylbenzoyl)-3,4-dihydroisoquinolin-1-ylidene]amino] sulfate Traditional Name: potassium [(Z)-(6-chloro-2-o-toluoyl-3,4-dihydroisoquinolin-1-ylidene)amino] sulfate Formula: C17H14ClKN2O5S MolecularWeight: 432.91976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC3=C(C2=NOS(=O)(=O)[O-])C=CC(=C3)Cl.[K+]

Isomeric SMILES

CC1=CC=CC=C1C(=O)N\2CCC3=C(/C2=N/OS(=O)(=O)[O-])C=CC(=C3)Cl.[K+]

InChI

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