4-[[(6-methyl-2-pyridin-1-ium-3-yl-quinolin-4-yl)carbonylamino]methyl]benzoate

Systemtic Name: 4-[[(6-methyl-2-pyridin-1-ium-3-yl-quinolin-4-yl)carbonylamino]methyl]benzoate Openeye Name: 4-[[(6-methyl-2-pyridin-1-ium-3-yl-quinoline-4-carbonyl)amino]methyl]benzoate CAS Name: 4-[[[[6-methyl-2-(3-pyridin-1-iumyl)-4-quinolinyl]-oxomethyl]amino]methyl]benzoate IUPAC Name: 4-[[(6-methyl-2-pyridin-1-ium-3-ylquinoline-4-carbonyl)amino]methyl]benzoate Traditional Name: 4-[[(6-methyl-2-pyridin-1-ium-3-yl-quinoline-4-carbonyl)amino]methyl]benzoate Formula: C24H19N3O3 MolecularWeight: 397.42596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)[O-])C4=C[NH+]=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=C(C=C3)C(=O)[O-])C4=C[NH+]=CC=C4

InChI

InChI=1S/C24H19N3O3/c1-15-4-9-21-19(11-15)20(12-22(27-21)18-3-2-10-25-14-18)23(28)26-13-16-5-7-17(8-6-16)24(29)30/h2-12,14H,13H2,1H3,(H,26,28)(H,29,30)