methyl 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylate

Systemtic Name: methyl 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylate Openeye Name: methyl 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylate CAS Name: 2-(4-methyl-1-piperazin-4-iumyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylpiperazin-4-ium-1-yl)quinoline-4-carboxylate Traditional Name: 2-(4-methylpiperazin-4-ium-1-yl)cinchoninic acid methyl ester Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=C2)C(=O)OC

InChI

InChI=1S/C16H19N3O2/c1-18-7-9-19(10-8-18)15-11-13(16(20)21-2)12-5-3-4-6-14(12)17-15/h3-6,11H,7-10H2,1-2H3/p+1