dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl]azanium

Systemtic Name: dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxidanyl-quinolin-1-ium-3-yl)methyl]azanium Openeye Name: dibutyl-[(4-hydroxy-6-methoxycarbonyl-2-methyl-quinolin-1-ium-3-yl)methyl]ammonium CAS Name: dibutyl-[(4-hydroxy-6-methoxycarbonyl-2-methyl-3-quinolin-1-iumyl)methyl]ammonium IUPAC Name: dibutyl-[(4-hydroxy-6-methoxycarbonyl-2-methylquinolin-1-ium-3-yl)methyl]azanium Traditional Name: dibutyl-[(6-carbomethoxy-4-hydroxy-2-methyl-quinolin-1-ium-3-yl)methyl]ammonium Formula: C21H32N2O3+2 MolecularWeight: 360.49038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O3/c1-5-7-11-23(12-8-6-2)14-18-15(3)22-19-10-9-16(21(25)26-4)13-17(19)20(18)24/h9-10,13H,5-8,11-12,14H2,1-4H3,(H,22,24)/p+2