(7-chloranyl-2-phenethyloxy-quinolin-3-yl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: (7-chloranyl-2-phenethyloxy-quinolin-3-yl)methyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: (7-chloro-2-phenethyloxy-3-quinolyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: (7-chloro-2-phenethyloxy-3-quinolinyl)methyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: (7-chloro-2-phenethyloxyquinolin-3-yl)methyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: (7-chloro-2-phenethyloxy-3-quinolyl)methyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C22H26ClN2O2+ MolecularWeight: 385.90704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)[NH2+]CC1=C(N=C2C=C(C=CC2=C1)Cl)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(CO)[NH2+]CC1=C(N=C2C=C(C=CC2=C1)Cl)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H25ClN2O2/c1-22(2,15-26)24-14-18-12-17-8-9-19(23)13-20(17)25-21(18)27-11-10-16-6-4-3-5-7-16/h3-9,12-13,24,26H,10-11,14-15H2,1-2H3/p+1