ethyl 6-(dimethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C21H32N4O3+2 MolecularWeight: 388.50378

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)N(C)C)C(=O)OCC

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)N(C)C)C(=O)OCC

InChI

InChI=1S/C21H30N4O3/c1-5-24-9-11-25(12-10-24)14-17-19(21(27)28-6-2)22-18-8-7-15(23(3)4)13-16(18)20(17)26/h7-8,13H,5-6,9-12,14H2,1-4H3,(H,22,26)/p+2