5-chloranyl-2-(1-methylpiperazin-1-ium-1-yl)pyridine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(1-methylpiperazin-1-ium-1-yl)pyridine-4-carboxylic acid Openeye Name: 5-chloro-2-(1-methylpiperazin-1-ium-1-yl)pyridine-4-carboxylic acid CAS Name: 5-chloro-2-(1-methyl-1-piperazin-1-iumyl)-4-pyridinecarboxylic acid IUPAC Name: 5-chloro-2-(1-methylpiperazin-1-ium-1-yl)pyridine-4-carboxylic acid Traditional Name: 5-chloro-2-(1-methylpiperazin-1-ium-1-yl)isonicotinic acid Formula: C11H15ClN3O2+ MolecularWeight: 256.7087

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)C2=NC=C(C(=C2)C(=O)O)Cl

Isomeric SMILES

C[N+]1(CCNCC1)C2=NC=C(C(=C2)C(=O)O)Cl

InChI

InChI=1S/C11H14ClN3O2/c1-15(4-2-13-3-5-15)10-6-8(11(16)17)9(12)7-14-10/h6-7,13H,2-5H2,1H3/p+1