(4-pyridin-1-ium-4-ylpiperazin-1-yl)-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone

Systemtic Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone Openeye Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[5-(6-quinolyloxymethyl)isoxazol-3-yl]methanone CAS Name: [4-(4-pyridin-1-iumyl)-1-piperazinyl]-[5-(6-quinolinyloxymethyl)-3-isoxazolyl]methanone IUPAC Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone Traditional Name: (4-pyridin-1-ium-4-ylpiperazino)-[5-(6-quinolyloxymethyl)isoxazol-3-yl]methanone Formula: C23H22N5O3+ MolecularWeight: 416.45248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NOC(=C3)COC4=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=NOC(=C3)COC4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C23H21N5O3/c29-23(28-12-10-27(11-13-28)18-5-8-24-9-6-18)22-15-20(31-26-22)16-30-19-3-4-21-17(14-19)2-1-7-25-21/h1-9,14-15H,10-13,16H2/p+1