[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Openeye Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone CAS Name: [5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methanone Traditional Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methanone Formula: C25H25N4O3+ MolecularWeight: 429.491

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C[NH+]1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H24N4O3/c1-28-12-13-29(23(16-28)18-6-3-2-4-7-18)25(30)22-14-20(32-27-22)17-31-24-9-5-8-19-15-26-11-10-21(19)24/h2-11,14-15,23H,12-13,16-17H2,1H3/p+1/t23-/m1/s1