N-(3-indazol-1-ylpropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-indazol-1-ylpropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-(3-indazol-1-ylpropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazole-4-carboxamide CAS Name: N-[3-(1-indazolyl)propyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-oxazolecarboxamide IUPAC Name: N-(3-indazol-1-ylpropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-(3-indazol-1-ylpropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazole-4-carboxamide Formula: C24H26N5O2+ MolecularWeight: 416.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=CO3)C(=O)NCCCN4C5=CC=CC=C5C=N4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=NC(=CO3)C(=O)NCCCN4C5=CC=CC=C5C=N4

InChI

InChI=1S/C24H25N5O2/c30-24(25-11-5-12-29-22-9-4-3-7-19(22)14-26-29)21-17-31-23(27-21)16-28-13-10-18-6-1-2-8-20(18)15-28/h1-4,6-9,14,17H,5,10-13,15-16H2,(H,25,30)/p+1