5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate

Systemtic Name: 5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Openeye Name: 5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate CAS Name: 5,8-dimethyl-2-(4-methyl-1-piperazin-4-iumyl)-3-quinolinecarboxylate IUPAC Name: 5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Traditional Name: 5,8-dimethyl-2-(4-methylpiperazin-4-ium-1-yl)quinoline-3-carboxylate Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)N3CC[NH+](CC3)C)C(=O)[O-]

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)N3CC[NH+](CC3)C)C(=O)[O-]

InChI

InChI=1S/C17H21N3O2/c1-11-4-5-12(2)15-13(11)10-14(17(21)22)16(18-15)20-8-6-19(3)7-9-20/h4-5,10H,6-9H2,1-3H3,(H,21,22)