methyl 2-piperazin-4-ium-1-ylquinoline-4-carboxylate

Systemtic Name: methyl 2-piperazin-4-ium-1-ylquinoline-4-carboxylate Openeye Name: methyl 2-piperazin-4-ium-1-ylquinoline-4-carboxylate CAS Name: 2-(1-piperazin-4-iumyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-piperazin-4-ium-1-ylquinoline-4-carboxylate Traditional Name: 2-piperazin-4-ium-1-ylcinchoninic acid methyl ester Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC2=CC=CC=C21)N3CC[NH2+]CC3

Isomeric SMILES

COC(=O)C1=CC(=NC2=CC=CC=C21)N3CC[NH2+]CC3

InChI

InChI=1S/C15H17N3O2/c1-20-15(19)12-10-14(18-8-6-16-7-9-18)17-13-5-3-2-4-11(12)13/h2-5,10,16H,6-9H2,1H3/p+1