5-(isoquinolin-5-yloxymethyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-(isoquinolin-5-yloxymethyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-(5-isoquinolyloxymethyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]isoxazole-3-carboxamide CAS Name: 5-(5-isoquinolinyloxymethyl)-N-[[1-(1-piperidin-1-iumyl)cyclopentyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-(isoquinolin-5-yloxymethyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-(5-isoquinolyloxymethyl)-N-[(1-piperidin-1-ium-1-ylcyclopentyl)methyl]isoxazole-3-carboxamide Formula: C25H31N4O3+ MolecularWeight: 435.53864

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCCC2)CNC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

Isomeric SMILES

C1CC[NH+](CC1)C2(CCCC2)CNC(=O)C3=NOC(=C3)COC4=CC=CC5=C4C=CN=C5

InChI

InChI=1S/C25H30N4O3/c30-24(27-18-25(10-2-3-11-25)29-13-4-1-5-14-29)22-15-20(32-28-22)17-31-23-8-6-7-19-16-26-12-9-21(19)23/h6-9,12,15-16H,1-5,10-11,13-14,17-18H2,(H,27,30)/p+1