5-(isoquinolin-5-yloxymethyl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[2-[(3R)-3-phenyl-1-pyrrolidin-1-iumyl]ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[2-[(3R)-3-phenylpyrrolidin-1-ium-1-yl]ethyl]isoxazole-3-carboxamide Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1C2=CC=CC=C2)CCNC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1C[NH+](C[C@H]1C2=CC=CC=C2)CCNC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C26H26N4O3/c31-26(28-12-14-30-13-10-21(17-30)19-5-2-1-3-6-19)24-15-22(33-29-24)18-32-25-8-4-7-20-16-27-11-9-23(20)25/h1-9,11,15-16,21H,10,12-14,17-18H2,(H,28,31)/p+1/t21-/m0/s1