ethyl 2-oxidanylidene-4-piperazin-4-ium-1-yl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-4-piperazin-4-ium-1-yl-1H-quinoline-3-carboxylate Openeye Name: ethyl 2-oxo-4-piperazin-4-ium-1-yl-1H-quinoline-3-carboxylate CAS Name: 2-oxo-4-(1-piperazin-4-iumyl)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-4-piperazin-4-ium-1-yl-1H-quinoline-3-carboxylate Traditional Name: 2-keto-4-piperazin-4-ium-1-yl-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H20N3O3+ MolecularWeight: 302.3483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)N3CC[NH2+]CC3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2NC1=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H19N3O3/c1-2-22-16(21)13-14(19-9-7-17-8-10-19)11-5-3-4-6-12(11)18-15(13)20/h3-6,17H,2,7-10H2,1H3,(H,18,20)/p+1