5-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide Openeye Name: 5-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]oxazole-4-carboxamide CAS Name: 5-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridin-1-iumyl]methyl]-4-oxazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]-1,3-oxazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)pyridin-1-ium-3-yl]methyl]oxazole-4-carboxamide Formula: C22H23N4O2+ MolecularWeight: 375.44362

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(N=CO2)C(=O)NCC3=C([NH+]=CC=C3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1CC1C2=C(N=CO2)C(=O)NCC3=C([NH+]=CC=C3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H22N4O2/c27-22(19-20(16-7-8-16)28-14-25-19)24-12-17-6-3-10-23-21(17)26-11-9-15-4-1-2-5-18(15)13-26/h1-6,10,14,16H,7-9,11-13H2,(H,24,27)/p+1