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

Systemtic Name: [7-chloranyl-2-oxidanylidene-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]azanium Openeye Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolyl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium CAS Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)-3-quinolinyl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]ammonium IUPAC Name: [7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl-[(2R)-6-hydroxy-6-methylheptan-2-yl]azanium Traditional Name: [7-chloro-2-keto-1-(2-phenoxyethyl)-3-quinolyl]methyl-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]ammonium Formula: C26H34ClN2O3+ MolecularWeight: 458.01276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)[NH2+]CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[NH2+]CC1=CC2=C(C=C(C=C2)Cl)N(C1=O)CCOC3=CC=CC=C3

InChI

InChI=1S/C26H33ClN2O3/c1-19(8-7-13-26(2,3)31)28-18-21-16-20-11-12-22(27)17-24(20)29(25(21)30)14-15-32-23-9-5-4-6-10-23/h4-6,9-12,16-17,19,28,31H,7-8,13-15,18H2,1-3H3/p+1/t19-/m1/s1