ethyl 6-(dimethylamino)-3-[(4-methanoylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate

Systemtic Name: ethyl 6-(dimethylamino)-3-[(4-methanoylpiperazin-1-ium-1-yl)methyl]-4-oxidanylidene-1H-quinoline-2-carboxylate Openeye Name: ethyl 6-(dimethylamino)-3-[(4-formylpiperazin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate CAS Name: 6-(dimethylamino)-3-[(4-formyl-1-piperazin-1-iumyl)methyl]-4-oxo-1H-quinoline-2-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(dimethylamino)-3-[(4-formylpiperazin-1-ium-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxylate Traditional Name: 6-(dimethylamino)-3-[(4-formylpiperazin-1-ium-1-yl)methyl]-4-keto-1H-quinoline-2-carboxylic acid ethyl ester Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCN(CC3)C=O

Isomeric SMILES

CCOC(=O)C1=C(C(=O)C2=C(N1)C=CC(=C2)N(C)C)C[NH+]3CCN(CC3)C=O

InChI

InChI=1S/C20H26N4O4/c1-4-28-20(27)18-16(12-23-7-9-24(13-25)10-8-23)19(26)15-11-14(22(2)3)5-6-17(15)21-18/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,21,26)/p+1