[5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-(4-morpholin-4-ium-4-ylpiperidin-1-yl)methanone

Systemtic Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-(4-morpholin-4-ium-4-ylpiperidin-1-yl)methanone Openeye Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-(4-morpholin-4-ium-4-yl-1-piperidyl)methanone CAS Name: [5-(5-isoquinolinyloxymethyl)-3-isoxazolyl]-[4-(4-morpholin-4-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-(isoquinolin-5-yloxymethyl)-1,2-oxazol-3-yl]-(4-morpholin-4-ium-4-ylpiperidin-1-yl)methanone Traditional Name: [5-(5-isoquinolyloxymethyl)isoxazol-3-yl]-(4-morpholin-4-ium-4-ylpiperidino)methanone Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1[NH+]2CCOCC2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CN(CCC1[NH+]2CCOCC2)C(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C23H26N4O4/c28-23(27-8-5-18(6-9-27)26-10-12-29-13-11-26)21-14-19(31-25-21)16-30-22-3-1-2-17-15-24-7-4-20(17)22/h1-4,7,14-15,18H,5-6,8-13,16H2/p+1