3-(6-methyl-2-piperazin-4-ium-1-yl-quinolin-3-yl)-5-phenyl-1,2,4-oxadiazole

Systemtic Name: 3-(6-methyl-2-piperazin-4-ium-1-yl-quinolin-3-yl)-5-phenyl-1,2,4-oxadiazole Openeye Name: 3-(6-methyl-2-piperazin-4-ium-1-yl-3-quinolyl)-5-phenyl-1,2,4-oxadiazole CAS Name: 3-[6-methyl-2-(1-piperazin-4-iumyl)-3-quinolinyl]-5-phenyl-1,2,4-oxadiazole IUPAC Name: 3-(6-methyl-2-piperazin-4-ium-1-ylquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-(6-methyl-2-piperazin-4-ium-1-yl-3-quinolyl)-5-phenyl-1,2,4-oxadiazole Formula: C22H22N5O+ MolecularWeight: 372.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(N=C2C=C1)N3CC[NH2+]CC3)C4=NOC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=CC(=C(N=C2C=C1)N3CC[NH2+]CC3)C4=NOC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C22H21N5O/c1-15-7-8-19-17(13-15)14-18(21(24-19)27-11-9-23-10-12-27)20-25-22(28-26-20)16-5-3-2-4-6-16/h2-8,13-14,23H,9-12H2,1H3/p+1