(6-ethoxy-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl-bis(2-methylpropyl)azanium

Systemtic Name: (6-ethoxy-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl-bis(2-methylpropyl)azanium Openeye Name: (6-ethoxy-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl-diisobutyl-ammonium CAS Name: (6-ethoxy-4-hydroxy-2-methyl-3-quinolin-1-iumyl)methyl-bis(2-methylpropyl)ammonium IUPAC Name: (6-ethoxy-4-hydroxy-2-methylquinolin-1-ium-3-yl)methyl-bis(2-methylpropyl)azanium Traditional Name: (6-ethoxy-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl-diisobutyl-ammonium Formula: C21H34N2O2+2 MolecularWeight: 346.50686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+](CC(C)C)CC(C)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)[NH+]=C(C(=C2O)C[NH+](CC(C)C)CC(C)C)C

InChI

InChI=1S/C21H32N2O2/c1-7-25-17-8-9-20-18(10-17)21(24)19(16(6)22-20)13-23(11-14(2)3)12-15(4)5/h8-10,14-15H,7,11-13H2,1-6H3,(H,22,24)/p+2