butyl-ethyl-[[2-methyl-6-(2-methylpropoxy)-4-oxidanyl-quinolin-1-ium-3-yl]methyl]azanium

Systemtic Name: butyl-ethyl-[[2-methyl-6-(2-methylpropoxy)-4-oxidanyl-quinolin-1-ium-3-yl]methyl]azanium Openeye Name: butyl-ethyl-[(4-hydroxy-6-isobutoxy-2-methyl-quinolin-1-ium-3-yl)methyl]ammonium CAS Name: butyl-ethyl-[[4-hydroxy-2-methyl-6-(2-methylpropoxy)-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: butyl-ethyl-[[4-hydroxy-2-methyl-6-(2-methylpropoxy)quinolin-1-ium-3-yl]methyl]azanium Traditional Name: butyl-ethyl-[(4-hydroxy-6-isobutoxy-2-methyl-quinolin-1-ium-3-yl)methyl]ammonium Formula: C21H34N2O2+2 MolecularWeight: 346.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CC)CC1=C(C2=C(C=CC(=C2)OCC(C)C)[NH+]=C1C)O

Isomeric SMILES

CCCC[NH+](CC)CC1=C(C2=C(C=CC(=C2)OCC(C)C)[NH+]=C1C)O

InChI

InChI=1S/C21H32N2O2/c1-6-8-11-23(7-2)13-19-16(5)22-20-10-9-17(25-14-15(3)4)12-18(20)21(19)24/h9-10,12,15H,6-8,11,13-14H2,1-5H3,(H,22,24)/p+2