[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H24N5O3+ MolecularWeight: 430.47906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C24H23N5O3/c30-24(29-12-10-28(11-13-29)16-19-5-1-2-8-26-19)22-14-20(32-27-22)17-31-23-6-3-4-18-15-25-9-7-21(18)23/h1-9,14-15H,10-13,16-17H2/p+1