2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide

Systemtic Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Openeye Name: 2-[4-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide CAS Name: 2-[4-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1-piperazin-4-iumyl]-4-quinolinecarboxamide IUPAC Name: 2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-4-ium-1-yl]quinoline-4-carboxamide Traditional Name: 2-[4-[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]piperazin-4-ium-1-yl]cinchoninamide Formula: C20H23N6O3+ MolecularWeight: 395.43502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C(=O)N

InChI

InChI=1S/C20H22N6O3/c1-13-10-17(24-29-13)23-19(27)12-25-6-8-26(9-7-25)18-11-15(20(21)28)14-4-2-3-5-16(14)22-18/h2-5,10-11H,6-9,12H2,1H3,(H2,21,28)(H,23,24,27)/p+1