dibutyl-[[6-(dimethylamino)-2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl]methyl]azanium

Systemtic Name: dibutyl-[[6-(dimethylamino)-2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl]methyl]azanium Openeye Name: dibutyl-[[6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl]ammonium CAS Name: dibutyl-[[6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl]ammonium IUPAC Name: dibutyl-[[6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl]azanium Traditional Name: dibutyl-[[2-carbethoxy-6-(dimethylamino)-4-keto-1H-quinolin-3-yl]methyl]ammonium Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC1=C(NC2=C(C1=O)C=C(C=C2)N(C)C)C(=O)OCC

Isomeric SMILES

CCCC[NH+](CCCC)CC1=C(NC2=C(C1=O)C=C(C=C2)N(C)C)C(=O)OCC

InChI

InChI=1S/C23H35N3O3/c1-6-9-13-26(14-10-7-2)16-19-21(23(28)29-8-3)24-20-12-11-17(25(4)5)15-18(20)22(19)27/h11-12,15H,6-10,13-14,16H2,1-5H3,(H,24,27)/p+1