[7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolyl]methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolinyl]methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [7-chloro-2-keto-1-(2-phenoxyethyl)-3-quinolyl]methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C24H24ClN2O2S+ MolecularWeight: 439.97756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CCOC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H23ClN2O2S/c1-17(23-8-5-13-30-23)26-16-19-14-18-9-10-20(25)15-22(18)27(24(19)28)11-12-29-21-6-3-2-4-7-21/h2-10,13-15,17,26H,11-12,16H2,1H3/p+1/t17-/m0/s1