[7-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-quinolin-3-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium

Systemtic Name: [7-chloranyl-1-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-quinolin-3-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [7-chloro-1-(2-methoxy-2-oxo-ethyl)-2-oxo-3-quinolyl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [7-chloro-1-(2-methoxy-2-oxoethyl)-2-oxo-3-quinolinyl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [7-chloro-1-(2-methoxy-2-oxoethyl)-2-oxoquinolin-3-yl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [7-chloro-2-keto-1-(2-keto-2-methoxy-ethyl)-3-quinolyl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C21H30ClN2O4+ MolecularWeight: 409.9269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CC(=O)OC

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+]CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CC(=O)OC

InChI

InChI=1S/C21H29ClN2O4/c1-14(6-5-9-21(2,3)27)23-12-16-10-15-7-8-17(22)11-18(15)24(20(16)26)13-19(25)28-4/h7-8,10-11,14,23,27H,5-6,9,12-13H2,1-4H3/p+1/t14-/m1/s1