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

Systemtic Name: ethyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: ethyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[(4-ethylpiperazin-4-ium-1-yl)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid ethyl ester Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-4-22-8-10-23(11-9-22)13-17-14(3)21-18-7-6-15(20(25)26-5-2)12-16(18)19(17)24/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,21,24)/p+1