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

Systemtic Name: [6-(dimethylamino)-2-ethoxycarbonyl-4-oxidanylidene-1H-quinolin-3-yl]methyl-dipropyl-azanium Openeye Name: [6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl-dipropyl-ammonium CAS Name: [6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl-dipropylammonium IUPAC Name: [6-(dimethylamino)-2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl]methyl-dipropylazanium Traditional Name: [2-carbethoxy-6-(dimethylamino)-4-keto-1H-quinolin-3-yl]methyl-dipropyl-ammonium Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O3/c1-6-11-24(12-7-2)14-17-19(21(26)27-8-3)22-18-10-9-15(23(4)5)13-16(18)20(17)25/h9-10,13H,6-8,11-12,14H2,1-5H3,(H,22,25)/p+1