[7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolyl]methyl-methyl-(thiazol-4-ylmethyl)ammonium CAS Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolinyl]methyl-methyl-(4-thiazolylmethyl)ammonium IUPAC Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [7-chloro-2-keto-1-(2-phenoxyethyl)-3-quinolyl]methyl-methyl-(thiazol-4-ylmethyl)ammonium Formula: C23H23ClN3O2S+ MolecularWeight: 440.96562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3)CC4=CSC=N4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3)CC4=CSC=N4

InChI

InChI=1S/C23H22ClN3O2S/c1-26(14-20-15-30-16-25-20)13-18-11-17-7-8-19(24)12-22(17)27(23(18)28)9-10-29-21-5-3-2-4-6-21/h2-8,11-12,15-16H,9-10,13-14H2,1H3/p+1