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

Systemtic Name: (6-ethoxycarbonyl-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl-bis(2-methylpropyl)azanium Openeye Name: (6-ethoxycarbonyl-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl-diisobutyl-ammonium CAS Name: (6-ethoxycarbonyl-4-hydroxy-2-methyl-3-quinolin-1-iumyl)methyl-bis(2-methylpropyl)ammonium IUPAC Name: (6-ethoxycarbonyl-4-hydroxy-2-methylquinolin-1-ium-3-yl)methyl-bis(2-methylpropyl)azanium Traditional Name: (6-carbethoxy-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl-diisobutyl-ammonium Formula: C22H34N2O3+2 MolecularWeight: 374.51696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-7-27-22(26)17-8-9-20-18(10-17)21(25)19(16(6)23-20)13-24(11-14(2)3)12-15(4)5/h8-10,14-15H,7,11-13H2,1-6H3,(H,23,25)/p+2