N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-phenylquinolin-2-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-phenylquinolin-2-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-phenyl-2-quinolyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-(4-phenyl-2-quinolinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-phenylquinolin-2-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-(4-phenyl-2-quinolyl)piperazin-1-ium-1-yl]acetamide Formula: C25H26N5O2+ MolecularWeight: 428.50624

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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)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C3=NC4=CC=CC=C4C(=C3)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c1-18-15-23(28-32-18)27-25(31)17-29-11-13-30(14-12-29)24-16-21(19-7-3-2-4-8-19)20-9-5-6-10-22(20)26-24/h2-10,15-16H,11-14,17H2,1H3,(H,27,28,31)/p+1